REMARK  Name = BDB060785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.345  -0.064   0.169  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.177   1.345   0.788  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1        1.205   1.932   0.938  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.498   2.114   2.292  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        2.701   2.621   2.734  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        3.638   2.970   1.762  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        3.358   2.818   0.393  0.00  0.00    +0.020 A 
ATOM      8 CL   LIG    1        5.163   3.606   2.246  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1        0.417   1.737   3.072  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        0.369   1.788   4.080  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        2.128   2.302  -0.029  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.640   1.290   2.293  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -1.739   0.951   2.705  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -1.067   2.253   0.030  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -1.435   2.992   0.632  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1       -2.181   1.401  -0.479  0.00  0.00    +0.168 C 
ATOM     17  C   LIG    1       -1.436   0.131  -0.921  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        4.046  -2.546  -0.885  0.00  0.00    +0.071 C 
ATOM     19  C   LIG    1        2.796  -1.749  -0.868  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        1.890  -1.511   0.196  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1        0.910  -0.703  -0.347  0.00  0.00    +0.174 A 
ATOM     22  O   LIG    1        1.229  -0.467  -1.651  0.00  0.00    -0.357 OA
ATOM     23  N   LIG    1        2.398  -1.117  -1.979  0.00  0.00    -0.081 NA
BRANCH  20  24
ATOM     24  N   LIG    1        1.966  -1.978   1.541  0.00  0.00    +0.062 N 
ATOM     25  O   LIG    1        1.200  -1.460   2.363  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        2.801  -2.855   1.789  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH   1  21
BRANCH  17  27
ATOM     27  C   LIG    1       -2.299  -1.104  -1.094  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -3.164  -1.558  -0.086  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.934  -2.707  -0.274  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.848  -3.419  -1.467  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.990  -2.985  -2.474  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.218  -1.837  -2.288  0.00  0.00    +0.004 A 
ENDBRANCH  17  27
BRANCH  16  33
ATOM     33  C   LIG    1       -3.027   2.012  -1.616  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1       -2.286   2.274  -2.715  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1       -4.037   1.195  -1.985  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1       -3.586   3.178  -1.211  0.00  0.00    -0.169 F 
ENDBRANCH  16  33
TORSDOF 4