REMARK  Name = BDB033562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551  -1.546  -0.716  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.766  -1.075  -0.522  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.134  -1.579   0.711  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.378  -1.360   1.319  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.316  -0.562   0.625  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.958  -0.049  -0.625  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.703   0.865  -1.530  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.861   0.710  -2.797  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.523   0.305  -2.425  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.100  -2.301   1.218  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.708  -0.300  -1.191  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.960  -2.278   0.325  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.311  -1.264  -1.842  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.962  -0.563  -2.493  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.955  -1.540  -1.960  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -3.153  -2.970  -1.855  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.394  -0.829  -3.148  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.286   0.637  -0.323  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.657  -0.693  -0.573  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.582  -1.312   0.272  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -5.113  -0.614   1.364  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.701   0.689   1.636  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.784   1.314   0.796  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.026   2.301  -1.902  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.384   1.283  -1.131  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -5.089  -2.553   0.004  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -4.571  -3.530   0.908  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.662  -0.275   1.244  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.763   1.097   1.721  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.551   1.982   1.072  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.426   3.102   1.790  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        4.577   2.936   2.899  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        4.169   1.625   2.834  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7