REMARK  Name = BDB052150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.311   2.070   0.824  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        4.189   1.621   0.607  0.00  0.00    +0.253 A 
ATOM      3  C   LIG    1        3.942   0.152   0.455  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        5.191  -0.664   0.660  0.00  0.00    +0.110 C 
ATOM      5  S   LIG    1        4.882  -2.428   0.947  0.00  0.00    -0.156 S 
ATOM      6  C   LIG    1        3.647  -2.659  -0.348  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1        2.426  -1.780  -0.091  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.704  -0.311   0.160  0.00  0.00    -0.028 A 
ATOM      9  C   LIG    1        1.565   0.644   0.073  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        1.819   2.014   0.231  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        0.794   2.958   0.155  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -0.512   2.535  -0.074  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -0.802   1.179  -0.226  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1        0.233   0.242  -0.144  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1        3.118   2.453   0.481  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        3.313   3.439   0.596  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  17
ATOM     17  O   LIG    1       -2.126   0.911  -0.430  0.00  0.00    -0.488 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.540  -0.427  -0.748  0.00  0.00    +0.187 C 
ATOM     19  C   LIG    1       -3.846  -0.332  -1.583  0.00  0.00    +0.125 C 
ATOM     20  N   LIG    1       -5.099  -0.423  -0.811  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -5.842   0.050  -1.325  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.951   0.173   0.511  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -3.949  -0.615   1.356  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -2.802  -1.219   0.535  0.00  0.00    +0.047 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 2