REMARK  Name = BDB014753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.299   4.837  -0.262  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.930   3.543   0.191  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.119   2.415   0.212  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.798   2.382  -0.452  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.994   1.225   0.021  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.647   0.850  -0.236  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.350  -0.285   0.406  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.473  -0.634   1.060  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.490   0.241   0.848  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.869   0.203   1.390  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.757   1.117   0.522  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.113   3.524   0.532  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.165   1.582  -1.040  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.224   2.412  -1.466  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.517   1.405  -1.419  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.340   0.384  -0.922  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.677   0.222  -1.338  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        4.188   1.126  -2.281  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.392   2.150  -2.790  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.070   2.285  -2.362  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.509  -0.870  -0.801  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.040  -2.197  -0.789  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.825  -3.235  -0.282  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        6.089  -2.954   0.219  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        6.843  -3.948   0.706  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.581  -1.656   0.224  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.794  -0.619  -0.284  0.00  0.00    +0.011 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -1.476  -1.831   1.892  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.878  -3.051   1.116  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -1.454  -4.421   1.584  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -0.854  -3.836   0.335  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5