REMARK  Name = BDB037100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.720   1.024   1.709  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.248   2.267   1.287  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.823   2.861   0.694  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.030   0.236   2.339  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.969   1.478   0.522  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1        2.130   0.679   1.327  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        2.622  -0.539   1.831  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.920  -0.963   1.549  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        4.761  -0.178   0.755  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        4.274   1.038   0.244  0.00  0.00    +0.051 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.330   3.531  -0.671  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.454   2.652   0.029  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1        6.164  -0.644   0.443  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.164  -1.733  -0.523  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.296  -3.009  -0.103  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.272  -3.718  -1.235  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.141  -2.905  -2.375  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.080  -1.622  -1.884  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  S   LIG    1       -1.254   2.900   1.611  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.341   4.095   0.795  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.383   2.972   3.049  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.365   1.718   0.902  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.444   1.190   1.601  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -4.299   0.268   0.977  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -4.079  -0.169  -0.342  0.00  0.00    -0.038 A 
ATOM     26  C   LIG    1       -2.977   0.377  -1.025  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -2.135   1.314  -0.418  0.00  0.00    +0.033 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.995  -1.189  -1.042  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -6.149  -1.707  -0.153  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.168  -2.419  -1.474  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -5.633  -0.541  -2.289  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
BRANCH  23  32
ATOM     32  O   LIG    1       -3.774   1.615   2.858  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.380   0.651   3.837  0.00  0.00    +0.277 C 
ENDBRANCH  23  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8