REMARK  Name = BDB013376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.934  -1.601  -0.190  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.300  -0.785  -1.141  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.928  -0.170  -0.860  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.568  -0.335   0.374  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.862   0.348   0.610  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -3.536   0.210   1.956  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -4.696   1.185   2.177  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -5.568   1.291   0.935  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -4.748   1.772  -0.261  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -3.414   1.083  -0.380  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.720   1.256  -1.691  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.197   1.937  -2.594  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.945  -1.150   1.323  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -1.521   0.624  -1.845  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -1.072   0.758  -2.740  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.284  -1.767   1.050  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.721  -2.281  -1.934  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.301  -2.271  -0.444  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.242  -3.708  -0.035  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.217  -4.821   0.295  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.415  -1.597   0.423  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.740  -0.152   0.101  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        2.998   0.894   0.667  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        3.304   2.215   0.354  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        2.585   3.204   0.900  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.345   2.524  -0.511  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.097   1.495  -1.073  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.798   0.164  -0.766  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4