REMARK  Name = BDB003190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.446   1.009  -0.104  0.00  0.00    -0.004 C 
ATOM      2  C   LIG    1        0.803   1.177  -1.518  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1       -0.734   1.198  -1.514  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1       -1.234   1.830  -0.302  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1       -0.922   1.063   0.904  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1        0.416   0.310   0.813  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.829   2.415   0.428  0.00  0.00    +0.162 C 
BRANCH   7   8
ATOM      8  O   LIG    1        2.166   2.398   1.810  0.00  0.00    -0.394 OA
ATOM      9  H   LIG    1        1.336   2.489   2.308  0.00  0.00    +0.209 HD
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  10
ATOM     10  C   LIG    1       -2.623   2.296  -0.377  0.00  0.00    +0.119 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.690   1.239  -0.576  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -4.036   0.803  -1.861  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.025  -0.168  -2.040  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -5.683  -0.725  -0.942  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -5.362  -0.281   0.341  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.371   0.692   0.520  0.00  0.00    +0.008 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -6.628  -1.661  -1.254  0.00  0.00    -0.434 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -7.045  -2.508  -0.197  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1       -7.870  -1.819   0.629  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.788  -3.503  -0.744  0.00  0.00    -0.166 F 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   4  10
BRANCH   1  21
ATOM     21  C   LIG    1        2.718   0.121  -0.268  0.00  0.00    +0.014 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.559  -0.121   0.992  0.00  0.00    +0.036 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.663  -1.120   0.725  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        5.912  -0.690   0.256  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.924  -1.613  -0.007  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.697  -2.974   0.191  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.457  -3.413   0.651  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.443  -2.491   0.916  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9