REMARK  Name = BDB040782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.330  -1.231  -1.106  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.439  -0.493  -0.086  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -0.633  -0.622  -1.038  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.001  -1.728  -1.707  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.010  -0.437  -0.805  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.461   0.385   0.234  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.826   0.572   0.450  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.211   1.357   1.467  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.788  -0.038  -0.355  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.330  -0.847  -1.393  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.209  -1.465  -2.195  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.968  -1.045  -1.623  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.269   0.168  -0.128  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.668   1.641  -0.186  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -6.134   2.458  -0.933  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.736   2.017   0.594  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -8.006   2.989   0.529  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.562   1.214   1.339  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.566   1.665   1.882  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.213  -0.253   1.383  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -6.719  -0.465   1.193  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  N   LIG    1        2.044  -0.341  -1.990  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        1.429   0.282  -2.510  0.00  0.00    +0.151 HD
BRANCH  22  26
ATOM     24  C   LIG    1        5.094   0.419  -0.676  0.00  0.00    +0.250 A 
ATOM     25  O   LIG    1        3.994  -0.398  -0.722  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1        3.233   0.208  -1.681  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1        3.799   1.287  -2.171  0.00  0.00    -0.092 NA
ATOM     28  N   LIG    1        5.007   1.429  -1.518  0.00  0.00    -0.106 NA
BRANCH  24  32
ATOM     29  C   LIG    1        9.510   1.500   1.382  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        8.325   0.588   1.261  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        7.284   0.894   0.372  0.00  0.00    +0.016 A 
ATOM     32  C   LIG    1        6.151   0.070   0.265  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        6.074  -1.070   1.078  0.00  0.00    +0.013 A 
ATOM     34  C   LIG    1        7.098  -1.375   1.976  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        8.216  -0.546   2.071  0.00  0.00    +0.003 A 
ENDBRANCH  24  32
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5