REMARK  Name = BDB009655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.387  -1.781  -0.267  0.00  0.00    -0.170 NA
ATOM      2  S   LIG    1        1.969  -1.579  -0.817  0.00  0.00    +0.036 S 
ATOM      3  O   LIG    1        2.675  -2.837  -0.722  0.00  0.00    -0.158 OA
ATOM      4  O   LIG    1        1.920  -0.860  -2.072  0.00  0.00    -0.158 OA
ATOM      5  C   LIG    1        2.660  -0.459   0.400  0.00  0.00    +0.159 C 
ATOM      6  C   LIG    1        1.615   0.534   0.941  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        0.387   0.751   0.029  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.464  -0.559  -0.067  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.441   1.940   0.521  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1       -0.819   2.939  -0.392  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.594   4.022   0.024  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.050   5.232  -1.111  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.004   4.130   1.350  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.639   3.145   2.266  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.865   2.056   1.855  0.00  0.00    +0.004 A 
ENDBRANCH   7   9
BRANCH   8  16
ATOM     16  C   LIG    1       -1.586  -0.452  -1.099  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1       -2.880  -0.082  -0.684  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -3.921   0.046  -1.607  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.683  -0.196  -2.956  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -4.964  -0.040  -4.093  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -2.413  -0.564  -3.388  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.371  -0.690  -2.464  0.00  0.00    +0.006 A 
ENDBRANCH   8  16
BRANCH   1  24
ATOM     23  C   LIG    1       -1.393  -3.403   0.415  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        0.072  -2.992   0.555  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1        0.459  -2.814   2.019  0.00  0.00    +0.025 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        3.880   0.240  -0.216  0.00  0.00    +0.148 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.776   0.828   0.840  0.00  0.00    +0.307 C 
ATOM     28  O   LIG    1        4.564   0.777   2.041  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.862   1.438   0.319  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        5.920   1.403  -0.655  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6