REMARK  Name = BDB027563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.121  -1.174   2.225  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.953  -1.889   2.383  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.034  -2.229   1.360  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.227  -2.782   2.156  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.521  -3.487   3.320  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.674  -2.589   3.625  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.990  -1.090   3.087  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        2.823   0.874  -1.461  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        1.776   1.259  -0.610  0.00  0.00    +0.145 A 
ATOM     10  F   LIG    1        0.988   2.288  -0.962  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        1.526   0.604   0.590  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        2.338  -0.472   0.947  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.404  -0.860   0.130  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.640  -0.192  -1.078  0.00  0.00    +0.027 A 
BRANCH   8  16
ATOM     15  C   LIG    1        3.907   1.403  -3.653  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        2.979   1.612  -2.656  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        2.316   2.370  -2.768  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        4.758   0.525  -3.695  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        4.574   2.350  -5.824  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        3.770   2.401  -4.754  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.084  -1.720   2.687  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.605  -1.022   3.248  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.786  -0.999   1.731  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -2.915   0.309   1.983  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1       -3.569   1.062   1.086  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.098   0.530  -0.090  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -4.781   1.341  -1.018  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -4.934   2.702  -0.766  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.410   3.244   0.402  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.895  -0.829  -0.258  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -3.735   2.423   1.312  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -3.238  -1.603   0.626  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5