REMARK  Name = BDB037264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.446   0.990   1.053  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1        0.204   1.733   1.226  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.133  -0.182   0.422  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.856  -1.170   0.364  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.206  -0.191  -0.241  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.923  -1.332  -0.113  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.133  -1.371  -0.706  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.677  -0.311  -1.431  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.909   0.855  -1.547  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.655   0.920  -0.948  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.893  -2.518  -0.603  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.274  -3.542   0.170  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.040  -0.406  -2.059  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.149  -0.277  -1.115  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.371  -0.712  -1.497  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.154  -0.430  -0.453  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.456   0.218   0.579  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.165   0.321   0.116  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.865   1.159   1.917  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -1.703   0.216   3.002  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.892   2.685   2.118  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.688   2.926   2.711  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -4.378   0.127   1.500  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.266   0.747   0.926  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -3.279   1.047  -0.442  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -4.367   0.662  -1.237  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -5.473   0.023  -0.668  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1       -6.659  -0.343  -1.510  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.484  -0.211   0.711  0.00  0.00    +0.050 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -4.335  -1.451   3.178  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.467  -0.063   2.853  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -2.223   1.690  -1.037  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -2.591   3.007  -1.454  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8