REMARK  Name = BDB030130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.331  -0.661   0.372  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.809  -1.441   0.316  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.822  -2.310  -0.227  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.282   0.525   0.698  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.047  -1.040  -0.237  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.791  -0.505   0.082  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.628  -1.294   0.015  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.733  -2.627  -0.377  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.636  -3.399  -0.454  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -2.976  -3.171  -0.695  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.107  -4.820  -1.177  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.126  -2.385  -0.626  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.329   2.652   0.282  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -6.707   1.373   0.049  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.371   1.096   0.124  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.265  -0.247  -0.177  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.512  -0.774  -0.430  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.356   0.223  -0.286  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        2.138  -0.673   0.336  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.960   0.316   0.579  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.992  -0.750  -1.141  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        2.814   0.527  -1.795  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.595  -1.985  -1.786  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.673  -0.912  -0.583  0.00  0.00    +0.218 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.160   0.269   0.233  0.00  0.00    +0.141 C 
ATOM     26  O   LIG    1        6.416  -0.087   0.856  0.00  0.00    -0.375 OA
ATOM     27  C   LIG    1        7.309   1.033   0.773  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        6.491   2.209   0.290  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1        5.444   1.535  -0.562  0.00  0.00    +0.035 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6