REMARK  Name = BDB033055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.863   0.155   1.383  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.361   0.003   0.478  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.072  -1.105   1.063  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.729  -1.296   2.392  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.245  -2.082   3.170  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.357  -0.312   2.748  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.020   2.130   0.351  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.403   1.514   1.419  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        0.844   2.196   1.925  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.897   3.338   0.187  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.662  -1.238  -0.597  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.585  -0.297  -1.057  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        3.842   0.453  -0.136  0.00  0.00    +0.132 A 
ATOM     14  C   LIG    1        2.837   1.325  -0.580  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        2.604   1.487  -1.950  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        3.344   0.750  -2.871  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.325  -0.140  -2.427  0.00  0.00    +0.007 A 
BRANCH  13  18
ATOM     18  O   LIG    1        4.151   0.301   1.192  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        3.630   0.937   1.717  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.227  -1.718   0.432  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.452  -0.825   0.479  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -3.954  -0.146  -0.656  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.089   0.677  -0.514  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.718   0.830   0.721  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.228   0.160   1.835  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.107  -0.660   1.716  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.317  -0.285  -2.021  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -3.321  -1.569  -2.473  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -3.930   0.449  -2.992  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -2.014   0.113  -2.032  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6