REMARK  Name = BDB030017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529  -1.081  -0.481  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.623  -1.261   0.262  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.675  -0.953   1.237  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.515  -1.127  -1.711  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.204  -0.405   0.123  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.973  -0.652  -0.503  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.797  -0.819   0.250  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.861  -0.735   1.640  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.750  -0.883   2.380  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.078  -0.492   2.273  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.160  -0.390   3.991  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.242  -0.329   1.523  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.562   0.079  -3.504  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -6.910  -0.014  -2.223  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.575  -0.211  -2.004  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.435  -0.229  -0.631  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.660  -0.046  -0.028  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.524   0.079  -1.009  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.940  -1.173  -0.518  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.744  -1.172  -1.534  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.872   0.207  -0.126  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        2.620   0.498   1.270  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.626   1.183  -1.163  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.513  -0.450  -0.312  0.00  0.00    +0.218 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.562   0.632  -0.142  0.00  0.00    +0.141 C 
ATOM     26  O   LIG    1        6.856   0.086  -0.480  0.00  0.00    -0.375 OA
ATOM     27  C   LIG    1        7.828   0.603   0.442  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        7.134   1.665   1.265  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1        5.707   1.177   1.270  0.00  0.00    +0.035 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6