REMARK  Name = BDB036419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.325  -0.819   0.513  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.505  -2.057   1.104  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.321  -2.373   1.947  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.468  -2.941   0.556  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.714  -2.215  -0.367  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.375  -2.796  -1.011  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.662  -4.138  -0.700  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.116  -4.859   0.228  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.197  -4.257   0.872  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.270  -0.833  -0.494  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        0.032   2.860   1.350  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -1.063   2.301   1.352  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -1.951   2.473   0.321  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -1.655   3.119  -0.402  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.867   1.538  -0.108  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.308   1.578  -1.254  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.127   0.362   0.843  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.890   0.841   2.279  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -1.459   1.331   2.442  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.200  -2.037  -2.014  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.765  -0.843  -1.420  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.282  -0.951  -0.555  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        1.833   0.344  -2.117  0.00  0.00    +0.249 C 
ATOM     24  O   LIG    1        1.409   0.474  -3.257  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        2.443   1.491  -1.408  0.00  0.00    +0.093 A 
ATOM     26  C   LIG    1        1.881   2.774  -1.464  0.00  0.00    +0.091 A 
ATOM     27 CL   LIG    1        0.374   3.111  -2.246  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        2.528   3.830  -0.812  0.00  0.00    +0.143 A 
ATOM     29  F   LIG    1        2.015   5.069  -0.847  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        3.715   3.630  -0.109  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.268   2.355  -0.045  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        3.630   1.298  -0.692  0.00  0.00    +0.137 A 
ATOM     33  F   LIG    1        4.189   0.082  -0.610  0.00  0.00    -0.205 F 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4