REMARK  Name = BDB037204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.081  -1.669  -0.553  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.522  -1.930   0.225  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.079  -0.391  -1.105  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.695   0.122  -1.898  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.298   0.310  -0.596  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.009  -0.344   0.367  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.110   0.281   0.836  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.531   1.539   0.409  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.775   2.175  -0.586  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.639   1.557  -1.097  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.869  -0.343   1.805  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.410  -1.650   2.140  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.776   2.186   0.950  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.918   1.931   0.083  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.221   2.799  -0.906  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.305   2.264  -1.473  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.704   1.068  -0.848  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.790   0.880   0.162  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.389  -2.658  -0.778  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.433  -2.963  -2.192  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.259  -3.721   0.199  0.00  0.00    -0.150 OA
BRANCH  19  28
ATOM     22  C   LIG    1       -4.955  -0.069   0.554  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.788  -0.160   1.295  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.420   0.547   2.545  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1       -2.205  -0.284   2.938  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -1.655  -0.893   1.748  0.00  0.00    -0.489 OA
ATOM     27  C   LIG    1       -2.720  -0.951   0.879  0.00  0.00    +0.157 A 
ATOM     28  C   LIG    1       -2.770  -1.677  -0.299  0.00  0.00    +0.192 A 
ATOM     29  C   LIG    1       -3.939  -1.596  -1.059  0.00  0.00    +0.154 A 
ATOM     30  C   LIG    1       -5.030  -0.812  -0.625  0.00  0.00    +0.093 A 
BRANCH  22  32
ATOM     31  C   LIG    1       -7.135   0.842   0.322  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -5.925   0.743   1.064  0.00  0.00    -0.495 OA
ENDBRANCH  22  32
BRANCH  29  33
ATOM     33  O   LIG    1       -4.118  -2.342  -2.193  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.931  -1.539  -3.361  0.00  0.00    +0.277 C 
ENDBRANCH  29  33
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 8