REMARK  Name = BDB032876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.456   0.684  -0.103  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.176   0.276  -0.401  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1       -0.008  -0.367  -1.162  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.817   1.305   0.892  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.814  -0.058  -0.647  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.503   0.251  -1.085  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.176   0.158  -2.451  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.122  -0.283  -3.373  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.399  -0.624  -2.942  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.744  -0.508  -1.592  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -5.311   0.204   2.817  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.334  -0.187   1.360  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -4.149   0.111   0.720  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -3.421   0.558   1.283  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -6.316  -0.737   0.872  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        0.967   0.550   0.306  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        1.011   1.591   1.649  0.00  0.00    -0.060 S 
ATOM     18  C   LIG    1        2.697   1.318   1.795  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1        3.122   0.447   0.809  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1        2.115   0.026  -0.052  0.00  0.00    -0.225 NA
BRANCH  19  21
ATOM     21  C   LIG    1        4.501  -0.002   0.631  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.458   0.092   1.654  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        6.769  -0.348   1.447  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.140  -0.891   0.219  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.201  -0.998  -0.803  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.891  -0.558  -0.597  0.00  0.00    +0.010 A 
ENDBRANCH  19  21
ENDBRANCH   2  16
TORSDOF 4