REMARK  Name = BDB029795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312  -2.616   0.388  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.302  -2.424  -0.836  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.073  -3.057  -1.033  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.020  -3.557   1.102  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.441  -0.482   0.349  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        2.431  -1.365  -0.066  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        1.388  -1.699   0.809  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1        1.364  -1.183   2.102  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.364  -1.498   2.941  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.368  -0.311   2.516  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1        2.351   0.347   4.109  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1        3.406   0.046   1.647  0.00  0.00    +0.050 A 
BRANCH   5  17
ATOM     13  C   LIG    1        7.469   1.381  -1.961  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1        6.237   0.675  -1.559  0.00  0.00    +0.080 A 
ATOM     15  N   LIG    1        5.597  -0.167  -2.422  0.00  0.00    -0.134 NA
ATOM     16  N   LIG    1        4.531  -0.655  -1.806  0.00  0.00    -0.061 NA
ATOM     17  N   LIG    1        4.479  -0.137  -0.555  0.00  0.00    -0.220 N 
ATOM     18  C   LIG    1        5.547   0.709  -0.368  0.00  0.00    +0.139 A 
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.255  -1.121  -1.572  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.226  -1.159  -2.598  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.155   0.210  -1.012  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.300   1.081  -2.156  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.544   0.659   0.219  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.746  -0.536  -0.652  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.848   0.492  -0.369  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -3.665   1.236   0.957  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -4.794   2.245   1.185  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1       -5.993   1.919   0.480  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -6.258   0.523   0.480  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -5.224  -0.204  -0.375  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6