REMARK  Name = BDB030024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.548  -1.326  -1.135  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.586  -1.259  -2.156  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.638  -0.967  -0.362  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.516  -0.698   0.833  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.970  -0.903  -1.020  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.155  -1.183  -2.373  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.107  -1.518  -3.145  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.427  -1.113  -2.938  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.657  -1.462  -4.609  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.526  -0.761  -2.155  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.366  -0.472  -0.792  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.081  -0.547  -0.235  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.532  -0.106  -0.003  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.808  -0.091  -0.521  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.589   0.285   0.466  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.872   0.514   1.602  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.414   0.939   2.867  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.555   0.270   1.325  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.826  -1.033  -0.516  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.706  -0.772   0.478  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.684   0.205  -1.323  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.571   1.392  -0.506  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.247   0.187  -2.703  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.358  -0.430  -1.237  0.00  0.00    +0.192 C 
BRANCH  24  31
ATOM     25  C   LIG    1       -6.209   3.333   0.460  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -6.757   1.987   0.063  0.00  0.00    +0.212 C 
ATOM     27  N   LIG    1       -5.886   0.923   0.141  0.00  0.00    -0.301 N 
ATOM     28  C   LIG    1       -6.316  -0.422  -0.192  0.00  0.00    +0.111 C 
ATOM     29  C   LIG    1       -5.179  -1.325   0.291  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -5.418  -1.793   1.729  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -3.933  -0.417   0.186  0.00  0.00    +0.033 C 
ATOM     32  C   LIG    1       -4.491   0.967   0.551  0.00  0.00    +0.113 C 
ATOM     33  O   LIG    1       -7.919   1.860  -0.319  0.00  0.00    -0.276 OA
ENDBRANCH  24  31
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6