REMARK  Name = BDB040635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.626  -0.083   0.775  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.711  -0.053  -0.243  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.895   0.065  -1.439  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.392  -0.158   0.376  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.575  -0.201   1.743  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -0.484  -0.302   2.616  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -1.760  -0.356   2.051  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1       -1.983  -0.292   0.646  0.00  0.00    +0.067 A 
ATOM      9  F   LIG    1       -2.796  -0.490   2.894  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -0.864  -0.206  -0.201  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.011  -0.125   1.997  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1        2.511  -0.109   3.106  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1        7.471   1.492  -1.269  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        6.457   1.076  -0.717  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        5.516   1.943  -0.220  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.685   2.925  -0.395  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.297   1.634   0.343  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        3.504   2.525   0.640  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        4.054   0.147   0.621  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1        4.716  -0.705  -0.459  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        6.205  -0.398  -0.494  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
BRANCH   8  22
ATOM     22  N   LIG    1       -3.285  -0.370   0.097  0.00  0.00    -0.319 N 
ATOM     23  C   LIG    1       -3.756   0.120  -1.191  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1       -4.490   1.200  -0.365  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -4.747  -0.874  -1.840  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1       -5.491  -1.663  -0.844  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1       -6.378  -1.995  -1.215  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.675  -0.931   0.422  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1       -4.535   0.076   0.696  0.00  0.00    +0.089 C 
ENDBRANCH   8  22
TORSDOF 2