REMARK  Name = BDB003712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.485  -0.502  -1.452  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.008  -0.453   0.003  0.00  0.00    +0.225 C 
ATOM      3  N   LIG    1       -1.949  -0.727   0.996  0.00  0.00    -0.300 N 
ATOM      4  C   LIG    1       -1.507  -0.738   2.385  0.00  0.00    +0.132 C 
ATOM      5  O   LIG    1        0.164  -0.188   0.288  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -3.305  -1.212   0.740  0.00  0.00    +0.142 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.254  -0.130   0.278  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1       -4.370   1.083   0.977  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -5.264   2.075   0.554  0.00  0.00    +0.060 A 
ATOM     10 CL   LIG    1       -5.334   3.535   1.473  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -6.064   1.857  -0.572  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1       -7.192   3.029  -1.149  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -5.966   0.648  -1.267  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.072  -0.340  -0.844  0.00  0.00    +0.007 A 
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  S   LIG    1       -0.126  -0.324  -2.658  0.00  0.00    -0.142 S 
BRANCH  15  16
ATOM     16  C   LIG    1        0.812  -1.850  -2.293  0.00  0.00    +0.165 C 
BRANCH  16  19
ATOM     17  N   LIG    1        2.548  -0.705  -1.039  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1        1.724  -0.327  -0.564  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.296  -1.559  -2.099  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1        3.134  -2.113  -2.807  0.00  0.00    -0.275 OA
BRANCH  17  24
ATOM     21  C   LIG    1        4.915   2.121   2.204  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        4.961   1.131   1.080  0.00  0.00    -0.049 A 
ATOM     23  C   LIG    1        3.772   0.641   0.519  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.794  -0.262  -0.555  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        5.024  -0.668  -1.072  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        6.214  -0.174  -0.529  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.184   0.724   0.537  0.00  0.00    +0.003 A 
ENDBRANCH  17  24
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7