REMARK  Name = BDB036249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.996  -0.239   1.017  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.956   0.553  -0.164  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.721   1.034  -0.546  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.907   1.740  -1.713  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -2.260   1.676  -1.978  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.462   0.791   0.187  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.402   0.063   1.268  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.900   0.941  -1.000  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -0.821  -0.450   1.645  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.409   0.734   3.504  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1       -3.778  -0.395   2.680  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1       -3.168  -0.852   1.535  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -3.958  -1.890   1.086  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -4.972  -2.020   2.048  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1       -4.855  -1.129   3.034  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1        1.643   1.342  -0.271  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.567   2.182  -0.831  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.878   1.269   0.494  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.509  -0.095   0.444  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.694  -0.821  -0.730  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.274  -0.525  -2.122  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        4.082  -1.591  -2.860  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        4.393  -2.665  -1.944  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        4.299  -2.073  -0.711  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        4.749  -2.660   0.454  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        4.600  -1.942   1.639  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        3.995  -0.677   1.624  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1        3.897  -0.010   2.784  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   5  29
ATOM     29  C   LIG    1       -3.021   2.267  -3.122  0.00  0.00    +0.135 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.374   2.603  -2.681  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1       -4.294   3.236  -1.885  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -4.752   1.750  -2.256  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6