REMARK  Name = BDB040858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.410   0.475   0.099  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        6.098   0.841  -0.587  0.00  0.00    +0.156 C 
ATOM      3  N   LIG    1        5.521  -0.374  -1.218  0.00  0.00    -0.316 N 
ATOM      4  C   LIG    1        4.634  -1.228  -0.391  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1        3.398  -1.296  -1.268  0.00  0.00    -0.028 C 
ATOM      6  C   LIG    1        3.798  -0.911  -2.602  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        2.143  -1.416  -0.821  0.00  0.00    -0.014 C 
ATOM      8  C   LIG    1        1.820  -1.411   0.663  0.00  0.00    +0.062 C 
ATOM      9  C   LIG    1        3.090  -1.469   1.552  0.00  0.00    +0.196 C 
ATOM     10  F   LIG    1        2.807  -1.028   2.810  0.00  0.00    -0.243 F 
ATOM     11  C   LIG    1        4.327  -0.720   1.020  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1        4.226   0.731   1.081  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1        3.753   1.179   1.858  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        5.003  -0.336  -2.509  0.00  0.00    +0.072 C 
ATOM     15  C   LIG    1        5.141   1.523   0.426  0.00  0.00    +0.234 C 
ATOM     16  O   LIG    1        5.217   2.719   0.707  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1        0.951  -0.175   1.028  0.00  0.00    +0.095 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.330  -0.089   0.291  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -1.306  -1.104   0.752  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -2.681  -0.985   0.054  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1       -3.253   0.371   0.229  0.00  0.00    -0.324 N 
ATOM     22  C   LIG    1       -2.296   1.407  -0.232  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -0.931   1.254   0.474  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.634   0.589   0.072  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.191   1.769   0.729  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -6.504   2.042   0.694  0.00  0.00    -0.006 C 
ATOM     27  C   LIG    1       -7.513   1.183  -0.010  0.00  0.00    +0.134 C 
ATOM     28  N   LIG    1       -6.879   0.070  -0.712  0.00  0.00    -0.305 N 
ATOM     29  C   LIG    1       -7.774  -0.887  -1.339  0.00  0.00    +0.132 C 
ATOM     30  C   LIG    1       -5.520  -0.199  -0.588  0.00  0.00    +0.204 C 
ATOM     31  F   LIG    1       -5.063  -1.315  -1.205  0.00  0.00    -0.187 F 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 3