REMARK  Name = BDB037153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.627  -0.322  -1.221  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.591  -0.466  -0.219  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.506  -0.437  -2.033  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.509  -0.237  -3.237  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.765  -0.819  -1.333  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.981  -0.437  -1.925  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        4.202  -0.739  -1.316  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        4.213  -1.445  -0.100  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.993  -1.828   0.487  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.777  -1.520  -0.124  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        5.429  -0.391  -1.815  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        5.459   0.326  -3.045  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.505  -1.781   0.610  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.777  -0.834   1.682  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.410  -1.121   2.951  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.830  -0.062   3.648  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.470   0.895   2.839  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.426   0.365   1.571  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.145   0.038  -1.820  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.629  -1.110  -2.559  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.056   1.355  -2.409  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -4.940   1.222   0.920  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1       -4.203   1.082  -0.276  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -3.171   0.135  -0.368  0.00  0.00    +0.192 A 
ATOM     25  C   LIG    1       -2.951  -0.740   0.704  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.683  -0.614   1.886  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.666   0.365   1.995  0.00  0.00    +0.011 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.358   3.632   1.499  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -5.982   2.305   1.094  0.00  0.00    +0.035 C 
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1       -4.498   1.946  -1.297  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -5.380   1.343  -2.248  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
BRANCH  25  32
ATOM     32  O   LIG    1       -1.959  -1.686   0.666  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -2.520  -2.984   0.431  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 9