REMARK  Name = BDB037137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.983   0.043  -1.651  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        1.923  -0.712  -0.933  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        1.594  -1.481  -0.358  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.223   0.690  -2.658  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.784   0.267  -1.482  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -3.040  -0.017  -0.126  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -1.957  -0.261   0.737  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -0.644  -0.240   0.264  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.395   0.026  -1.086  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.467   0.287  -1.953  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.678   0.828  -3.627  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -3.890   0.508  -2.256  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.477  -0.031   0.376  0.00  0.00    +0.271 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.539  -0.410   1.750  0.00  0.00    -0.458 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -5.823  -0.430   2.244  0.00  0.00    +0.318 A 
ATOM     16  N   LIG    1       -6.858  -0.114   1.447  0.00  0.00    -0.203 NA
ATOM     17  C   LIG    1       -8.076  -0.162   2.017  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1       -8.287  -0.509   3.330  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -7.157  -0.813   4.051  0.00  0.00    +0.118 A 
ATOM     20  N   LIG    1       -5.915  -0.781   3.535  0.00  0.00    -0.203 NA
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  S   LIG    1        3.511  -0.978  -1.370  0.00  0.00    +0.082 S 
ATOM     22  O   LIG    1        3.684  -2.366  -0.980  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        3.765  -0.546  -2.724  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.494   0.033  -0.286  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1        5.752  -0.442   0.135  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        6.500   0.312   1.050  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        6.012   1.521   1.545  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.785   2.002   1.105  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.040   1.277   0.169  0.00  0.00    +0.150 A 
BRANCH  25  30
ATOM     30  O   LIG    1        6.213  -1.604  -0.421  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        7.340  -2.235   0.172  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  29  32
ATOM     32  O   LIG    1        2.853   1.830  -0.227  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        3.076   2.787  -1.270  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 9