REMARK  Name = BDB037185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.537  -0.689   2.089  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.239   0.017   2.754  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.895  -0.814   0.842  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.439  -1.291  -0.141  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.523  -0.320   0.811  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.974   0.099  -0.398  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        2.244   0.566  -0.520  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.090   0.639   0.600  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.602   0.204   1.844  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.306  -0.283   1.955  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        2.686   1.017  -1.900  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        1.999   0.487  -3.141  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1        3.390   0.039  -2.813  0.00  0.00    +0.010 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        4.500   1.169   0.504  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.429   0.229  -0.112  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.291   0.672  -1.052  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        7.011  -0.409  -1.359  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        6.640  -1.533  -0.602  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.625  -1.086   0.212  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -3.126  -1.129   2.362  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -3.182  -2.565   2.198  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.471  -0.526   3.636  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.856   1.101   0.955  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.044  -0.281   1.115  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -4.961  -0.946   0.297  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -5.674  -0.236  -0.678  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.449   1.127  -0.864  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.535   1.794  -0.053  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -3.625   2.714   2.594  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.957   1.779   1.741  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -5.276  -2.263   0.478  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.670  -3.075  -0.532  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8