REMARK  Name = BDB040428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.398  -1.737   1.856  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.662  -1.531   1.065  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.544  -0.499   1.391  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.715  -0.274   0.648  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -4.658   1.075   1.175  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.050  -1.086  -0.455  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.124  -2.106  -0.788  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.339  -3.149  -2.159  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.956  -2.324  -0.043  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.308  -0.915  -1.309  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.580  -0.533  -0.566  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -7.056  -1.229   0.329  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.188   0.645  -0.930  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.027   0.877  -0.416  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.644   1.677  -1.653  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.204   2.768  -1.716  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.301   1.423  -2.290  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.090  -0.054  -2.560  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        0.945   0.336   1.980  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.646  -0.866   1.372  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.145  -1.137   0.535  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.374   0.715   3.000  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.413   1.630  -0.085  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        2.030   1.179   1.258  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        2.324   2.453   2.079  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.339   0.378   1.118  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1        4.010   0.224  -0.106  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        5.193  -0.524  -0.177  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1        5.723  -1.145   0.954  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.076  -0.991   2.175  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        3.902  -0.236   2.257  0.00  0.00    +0.005 A 
BRANCH  28  32
ATOM     32  S   LIG    1        6.005  -0.730  -1.746  0.00  0.00    -0.006 S 
ATOM     33  O   LIG    1        5.012  -0.499  -2.779  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1        6.745  -1.975  -1.694  0.00  0.00    -0.170 OA
ATOM     35  C   LIG    1        7.167   0.610  -1.783  0.00  0.00    +0.200 C 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6