REMARK  Name = BDB001219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.357   2.491   1.069  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.601   3.035   0.049  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.675   2.617  -0.867  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.103   2.720   2.249  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.265   2.651  -1.581  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        3.236   1.639  -0.491  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.426   1.614   0.633  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        2.873   0.288   1.626  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.059  -0.198   0.480  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.138   0.588  -0.577  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        4.905  -1.395   0.675  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        4.851  -2.210   1.820  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        5.679  -3.333   1.948  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.573  -3.657   0.932  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        7.588  -5.036   1.091  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.649  -2.868  -0.211  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.821  -1.747  -0.335  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.609   3.777   0.321  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.815   2.879   0.224  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.524   2.760  -0.979  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.622   1.902  -1.070  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.997   1.130   0.026  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.327   1.271   1.239  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.227   2.126   1.333  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.106   0.336  -0.050  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.872  -1.034  -0.431  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -4.063  -1.787   0.640  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -6.280  -1.656  -0.480  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.288  -1.244  -1.848  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -4.407  -0.507  -2.815  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.646  -2.423  -2.006  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -3.371  -2.414  -2.947  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8