REMARK  Name = BDB032579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.570  -0.143   0.603  0.00  0.00    +0.170 A 
ATOM      2  O   LIG    1        0.740  -1.138   0.188  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.442  -1.083   0.903  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.321  -0.046   1.732  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.929   0.589   1.574  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        3.733  -1.145  -0.211  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1        2.860  -0.046  -0.064  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.246   1.215  -0.567  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        4.466   1.390  -1.220  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        5.318   0.298  -1.370  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.958  -0.954  -0.874  0.00  0.00    +0.008 A 
BRANCH   6  13
ATOM     12  C   LIG    1        2.885  -3.453  -0.766  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1        3.427  -2.531   0.317  0.00  0.00    +0.032 C 
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  O   LIG    1        4.938   2.559  -1.750  0.00  0.00    -0.495 OA
ATOM     15  C   LIG    1        4.091   3.697  -1.665  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  N   LIG    1       -1.293   0.376   2.623  0.00  0.00    -0.197 N 
ATOM     17  H   LIG    1       -1.207   1.277   3.080  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.852  -0.237   2.671  0.00  0.00    +0.081 S 
ATOM     19  O   LIG    1       -3.596   0.661   3.536  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.746  -1.642   3.003  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.478  -0.003   1.032  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1       -4.099  -1.040   0.331  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.573  -0.822  -0.969  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -4.400   0.416  -1.585  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -3.788   1.455  -0.889  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -3.355   1.257   0.427  0.00  0.00    +0.150 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -4.376  -2.244   0.917  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.539  -3.279   0.398  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  26  29
ATOM     29  O   LIG    1       -2.761   2.304   1.087  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -3.730   3.297   1.436  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 8