REMARK  Name = BDB037237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.125  -1.972   0.337  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -1.103  -2.053   1.339  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.269  -1.158  -0.350  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.448  -0.730  -1.484  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.943  -0.756   0.423  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.271   0.556   0.370  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.359   0.945   1.065  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.131   0.086   1.845  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.760  -1.265   1.883  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.652  -1.697   1.161  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.714   2.277   1.053  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.076   3.023   0.021  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.333   0.579   2.606  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.472   0.884   1.746  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.204   1.993   1.987  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.176   1.938   1.074  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.098   0.783   0.276  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.997   0.108   0.748  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.637  -2.355  -0.266  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.336  -3.286  -1.330  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -3.346  -2.765   1.038  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -4.268  -3.146   0.828  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -3.312   0.321  -0.287  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.495  -0.938  -0.895  0.00  0.00    +0.149 A 
ATOM     25  C   LIG    1       -4.333  -1.068  -2.015  0.00  0.00    +0.160 A 
ATOM     26  C   LIG    1       -4.910   0.078  -2.580  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -5.870   0.005  -4.016  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.720   1.325  -1.990  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -3.942   1.443  -0.838  0.00  0.00    +0.048 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -1.991   1.649   1.186  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -2.568   0.385   0.862  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -4.547  -2.285  -2.606  0.00  0.00    -0.492 OA
ATOM     33  C   LIG    1       -5.744  -2.898  -2.126  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8