REMARK  Name = BDB009603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.237   1.920  -1.229  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.466   1.304  -0.573  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -2.600   1.675  -0.873  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.222   0.318   0.373  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.125  -0.130   0.766  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.276   0.226  -0.220  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.749   0.797  -1.542  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.218  -0.952  -0.441  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        3.511  -0.921   0.109  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.379  -2.000  -0.068  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        5.957  -1.945   0.615  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        3.976  -3.121  -0.787  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.694  -3.167  -1.333  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.820  -2.091  -1.159  0.00  0.00    +0.004 A 
ENDBRANCH   6   8
BRANCH   5  15
ATOM     15  C   LIG    1        0.447   0.342   2.176  0.00  0.00    +0.012 A 
ATOM     16  S   LIG    1        0.289   1.992   2.643  0.00  0.00    -0.080 S 
ATOM     17  C   LIG    1        0.812   1.656   4.214  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1        0.923   2.923   5.367  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        1.114   0.336   4.419  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        0.904  -0.429   3.233  0.00  0.00    +0.014 A 
ENDBRANCH   5  15
BRANCH   1  21
ATOM     21  C   LIG    1       -0.629   2.663  -2.513  0.00  0.00    +0.133 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -1.093   4.678  -1.214  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -1.274   3.988  -2.203  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.067   4.415  -3.204  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -2.439   5.256  -2.865  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   4  26
ATOM     26  C   LIG    1       -2.370  -0.348   0.989  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.640  -1.661   0.311  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -4.055  -2.166   0.173  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -3.299  -1.714  -1.045  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7