REMARK  Name = BDB037913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.028   1.095  -1.020  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        1.335   0.908  -1.095  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        2.334   1.665  -0.345  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.844   0.306   0.178  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1        4.386   0.105   0.238  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1        5.219   0.258  -0.644  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1        4.697  -0.292   1.500  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1        5.642  -0.479   1.797  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        3.627  -0.423   2.337  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        3.693  -0.763   3.506  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.361  -0.088   1.581  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1        2.087  -0.342  -1.000  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.542   2.100  -0.538  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -1.832  -0.703  -0.783  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1       -0.840   0.006  -1.546  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -0.772  -0.452  -2.848  0.00  0.00    +0.059 A 
ATOM     17  S   LIG    1       -1.885  -1.713  -3.153  0.00  0.00    -0.104 S 
ATOM     18  C   LIG    1       -2.459  -1.673  -1.544  0.00  0.00    +0.059 A 
BRANCH  14  21
ATOM     19  C   LIG    1       -4.363   0.387   0.230  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.367  -0.259   1.074  0.00  0.00    -0.304 N 
ATOM     21  C   LIG    1       -2.059  -0.506   0.647  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1       -1.108  -0.593   1.421  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1       -3.570  -0.110   2.504  0.00  0.00    +0.132 C 
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 2