REMARK  Name = BDB017640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.002  -2.477  -0.797  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        4.301  -1.553  -0.395  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        4.813  -0.159  -0.306  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        6.242   0.065  -0.727  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        6.573   1.548  -0.920  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        5.984   2.385   0.209  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        4.549   2.136   0.299  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        4.103   2.657   1.049  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        4.040   0.847   0.152  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        2.629   0.572   0.516  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        2.163  -0.749   0.452  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        0.849  -1.076   0.800  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.045  -0.075   1.203  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1        0.403   1.250   1.246  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        1.722   1.570   0.902  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.015  -1.766   0.012  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        2.683  -2.717  -0.058  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -1.469  -0.424   1.583  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.205  -1.101   0.503  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.480  -0.173  -0.627  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1       -3.342  -0.827  -1.735  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1       -4.604  -1.353  -1.176  0.00  0.00    -0.307 N 
ATOM     23  C   LIG    1       -4.342  -2.306  -0.084  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1       -3.485  -1.642   1.021  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.636  -0.459  -1.056  0.00  0.00    +0.161 A 
ATOM     26  S   LIG    1       -7.190  -0.884  -0.404  0.00  0.00    -0.061 S 
ATOM     27  C   LIG    1       -7.755   0.705  -0.674  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -6.756   1.457  -1.242  0.00  0.00    +0.120 A 
ATOM     29  N   LIG    1       -5.565   0.796  -1.456  0.00  0.00    -0.233 NA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3