REMARK  Name = BDB053774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.128   3.409   1.459  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        1.603   4.170   0.479  0.00  0.00    -0.219 NA
ATOM      3  C   LIG    1        0.728   3.614  -0.389  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1        0.366   2.273  -0.252  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.947   1.478   0.735  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.459   0.152   0.564  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1       -0.479   0.174  -0.467  0.00  0.00    +0.041 A 
ATOM      8  N   LIG    1       -0.484   1.463  -1.002  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1        1.851   2.065   1.635  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.818  -0.991   1.397  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        1.599  -1.983   0.806  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.025  -3.118   1.626  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.479  -3.528   1.334  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.772  -3.831  -0.078  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        3.753  -4.840  -0.228  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        2.822  -3.190  -1.000  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.260  -1.849  -0.497  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.471  -1.033   2.575  0.00  0.00    -0.270 OA
ENDBRANCH   6  10
BRANCH   8  19
ATOM     19  C   LIG    1       -1.222   1.897  -2.141  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -1.958   3.086  -2.088  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.677   3.508  -3.208  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.657   2.750  -4.379  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.921   1.567  -4.434  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.203   1.136  -3.318  0.00  0.00    +0.026 A 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1        3.241   5.352   2.139  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        3.024   3.962   2.354  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   7  27
ATOM     27  C   LIG    1       -1.418  -0.915  -0.929  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.068  -1.715   0.185  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -3.014  -1.153   1.072  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -3.428   0.290   1.005  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -3.546  -1.960   2.088  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -4.430  -1.446   2.957  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -3.191  -3.298   2.224  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -2.280  -3.860   1.338  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -1.725  -3.075   0.327  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 5