REMARK  Name = BDB018786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.489  -0.660   1.383  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -3.366  -0.713   0.396  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -3.035   0.746   0.013  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -3.684   1.080  -1.349  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -4.821   1.519  -1.492  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -2.911   0.764  -2.438  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -3.331   0.872  -3.354  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.558   0.457  -2.289  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -0.943   0.548  -1.038  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        0.362   0.298  -0.827  0.00  0.00    -0.207 NA
ATOM     11  C   LIG    1        1.091  -0.064  -1.920  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        0.562  -0.176  -3.203  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -0.791   0.096  -3.390  0.00  0.00    +0.031 A 
ATOM     14  O   LIG    1       -1.623   0.965   0.077  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -3.678   1.552   1.143  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -4.911   0.754   1.528  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.544  -0.345  -1.677  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1        2.913  -0.177  -0.359  0.00  0.00    -0.278 N 
ATOM     19  H   LIG    1        2.163   0.115   0.269  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        3.262  -0.684  -2.610  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.182  -0.354   0.224  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.297  -0.117   1.600  0.00  0.00    +0.144 A 
ATOM     23  F   LIG    1        3.216   0.263   2.301  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        5.509  -0.266   2.269  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        6.639  -0.659   1.557  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.544  -0.899   0.185  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.320  -0.748  -0.480  0.00  0.00    +0.026 A 
ENDBRANCH  18  21
ENDBRANCH  11  17
BRANCH   1  29
ATOM     28  N   LIG    1       -5.946  -2.615   1.917  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1       -5.271  -1.707   1.677  0.00  0.00    +0.169 C 
ENDBRANCH   1  29
TORSDOF 3