REMARK  Name = BDB030219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216   0.361  -0.715  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.069   0.101  -1.442  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.064  -0.797  -1.916  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.261   1.265   0.118  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.742  -1.005  -0.402  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.574  -0.241  -0.222  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.406  -0.496  -0.962  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.408  -1.533  -1.893  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.305  -1.804  -2.609  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.554  -2.301  -2.086  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.563  -3.580  -3.239  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.712  -2.041  -1.349  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.225   2.237   1.209  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -7.653   0.850   1.187  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.498   0.571   0.441  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.959  -0.726   0.378  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.619  -1.748   1.081  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.777  -1.484   1.814  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -8.295  -0.192   1.862  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.217   0.744  -0.909  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        0.987   1.421  -0.163  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.339  -0.397  -0.296  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        2.151  -0.418   1.137  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.195  -1.592  -1.103  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.876   0.422  -0.702  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.113  -0.471  -0.485  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1        6.310   0.072  -1.290  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        6.553   1.484  -1.026  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        6.913   1.933  -1.870  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        7.482   1.762   0.065  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        7.421   0.871   1.305  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        6.012   0.503   1.761  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        5.450  -0.698   0.999  0.00  0.00    +0.006 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6