REMARK  Name = BDB055396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.922  -0.006   0.765  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -3.464   1.409   1.000  0.00  0.00    +0.264 A 
ATOM      3  O   LIG    1       -4.193   2.273   1.480  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -2.155   1.715   0.681  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -1.820   2.656   0.830  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.330   0.728   0.223  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1       -1.692  -0.573   0.024  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.602  -1.340  -0.459  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.559  -0.582  -0.573  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        0.269   1.069  -0.144  0.00  0.00    -0.065 S 
ATOM     11  C   LIG    1       -3.042  -0.928   0.312  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -0.667  -2.656  -0.765  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        0.091  -3.064  -1.321  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -1.555  -3.114  -0.947  0.00  0.00    +0.142 HD
ENDBRANCH   8  12
BRANCH   1  15
ATOM     15  C   LIG    1       -5.304  -0.467   1.005  0.00  0.00    +0.344 C 
ATOM     16  O   LIG    1       -5.594  -1.626   1.271  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1       -7.554   0.171   1.038  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1       -6.192   0.538   0.823  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   9  19
ATOM     19  C   LIG    1        1.857  -1.025  -1.064  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1        1.985  -1.962  -1.856  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.109  -0.365  -0.609  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.336  -0.090   0.744  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.532   0.513   1.141  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.511   0.842   0.194  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        6.810   1.457   0.627  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.292   0.528  -1.154  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.098  -0.074  -1.555  0.00  0.00    +0.012 A 
ENDBRANCH  19  21
ENDBRANCH   9  19
TORSDOF 5