REMARK  Name = BDB037218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.941   1.333  -1.513  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.745   0.797  -2.352  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.230   1.093  -0.322  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.678   1.349   0.784  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.136   0.496  -0.507  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.611  -0.213   0.546  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.830  -0.777   0.422  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.617  -0.678  -0.722  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.104   0.060  -1.796  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.849   0.657  -1.692  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.331  -1.520   1.470  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.532  -1.458   2.647  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.975  -1.321  -0.803  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.989  -0.644  -0.000  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.950  -1.379   0.600  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.723  -0.471   1.198  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.292   0.844   0.952  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.181   0.703   0.155  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.495   1.948  -1.556  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.954   1.718  -2.913  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.411   3.295  -1.034  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.350  -0.504  -0.697  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.425   0.882  -0.499  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -4.243   1.383   0.514  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.969   0.505   1.330  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -4.849  -0.880   1.177  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -5.630  -1.813   2.054  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -4.038  -1.379   0.153  0.00  0.00    +0.051 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -3.347  -1.652  -2.702  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.554  -1.028  -1.687  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -4.455   2.724   0.680  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.741   3.214   1.818  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8