REMARK  Name = BDB030049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.427  -0.719  -0.346  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.391  -0.403  -1.208  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.414   0.454  -1.768  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.273  -1.527   0.568  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.073   0.207   0.135  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.811  -0.396   0.277  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.735  -0.042  -0.554  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.932   0.927  -1.536  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.922   1.291  -2.344  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.180   1.531  -1.688  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.426   2.726  -2.906  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.247   1.176  -0.861  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.399  -0.120   2.557  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.056  -0.337   2.082  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.406   0.387   1.121  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.158  -0.194   1.018  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.053  -1.247   1.897  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.207  -1.308   2.521  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.007  -0.841  -0.753  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.926  -1.440   0.086  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.051   0.471  -0.407  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.056   0.626   1.030  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.671   1.552  -1.293  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.614  -0.222  -0.943  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.759   0.773  -0.784  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -6.059   0.392  -1.535  0.00  0.00    -0.006 C 
ATOM     27  C   LIG    1       -7.075   1.302  -0.838  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -6.776   0.727   0.545  0.00  0.00    -0.010 C 
ATOM     29  C   LIG    1       -7.040  -0.772   0.327  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -6.569  -0.998  -1.116  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -5.256   0.945   0.669  0.00  0.00    +0.009 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6