REMARK  Name = BDB036455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.020   0.232  -1.155  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.202  -0.311  -0.678  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.950   0.800  -0.351  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.243   0.762   0.166  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        2.825  -0.500   0.334  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.056  -1.650   0.047  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1        0.225   1.922  -0.603  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.748  -1.589  -0.473  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -1.014   1.567  -1.109  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.084  -0.543  -1.594  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.035  -1.548  -1.432  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.634   0.032  -1.837  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.563   0.999  -2.913  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -4.479  -1.141  -1.969  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.878   0.109   0.894  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -4.074   0.807  -0.307  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.623   2.091  -0.268  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.953   2.676   0.962  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.707   1.998   2.155  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.166   0.716   2.122  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.336  -2.123   1.262  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.347  -1.156   0.898  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.969   2.766  -1.405  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.072   3.850  -1.656  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.092  -0.693   0.908  0.00  0.00    -0.339 N 
ATOM     26  H   LIG    1        4.496  -1.581   0.606  0.00  0.00    +0.146 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.095   0.385   0.908  0.00  0.00    +0.098 C 
ATOM     28  C   LIG    1        5.787   0.522  -0.446  0.00  0.00    +0.182 C 
ATOM     29  O   LIG    1        6.856  -0.442  -0.472  0.00  0.00    -0.378 OA
ATOM     30  C   LIG    1        7.119  -0.863   0.873  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1        6.261  -0.016   1.791  0.00  0.00    +0.052 C 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  32
ATOM     32  O   LIG    1       -0.042  -2.664  -0.781  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1        0.537  -3.956  -0.638  0.00  0.00    +0.277 C 
ENDBRANCH   8  32
TORSDOF 8