REMARK  Name = BDB063376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.243   0.153   1.837  0.00  0.00    -0.334 N 
ATOM      2  H   LIG    1        1.145  -0.051   2.833  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  15
ATOM      3  O   LIG    1        1.940   0.315  -0.952  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1        2.602  -0.400  -0.208  0.00  0.00    +0.210 C 
ATOM      5  C   LIG    1        3.701  -1.174  -0.797  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        4.560  -1.913  -0.012  0.00  0.00    +0.123 A 
ATOM      7  N   LIG    1        5.595  -2.638  -0.518  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        5.774  -2.618  -1.855  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        4.965  -1.904  -2.720  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.389  -1.945   1.455  0.00  0.00    +0.225 C 
ATOM     11  O   LIG    1        5.179  -2.545   2.176  0.00  0.00    -0.284 OA
ATOM     12  C   LIG    1        3.212  -1.224   2.007  0.00  0.00    +0.114 C 
ATOM     13 CL   LIG    1        2.987  -1.370   3.730  0.00  0.00    -0.077 Cl
ATOM     14  C   LIG    1        3.912  -1.169  -2.181  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.340  -0.506   1.272  0.00  0.00    +0.098 C 
ENDBRANCH   1  15
BRANCH   1  16
ATOM     16  C   LIG    1        0.063   0.555   1.232  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.894  -0.220   0.308  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -1.634   1.113   0.622  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -1.199   0.899   2.089  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -0.264   1.829   0.432  0.00  0.00    +0.051 C 
BRANCH  18  21
ATOM     21  N   LIG    1       -2.892   1.553   0.131  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -2.938   2.315  -0.537  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -4.065   0.895   0.417  0.00  0.00    +0.222 C 
ATOM     24  O   LIG    1       -4.155  -0.083   1.146  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.280   1.473  -0.186  0.00  0.00    +0.149 C 
ATOM     26  C   LIG    1       -5.357   1.773  -1.633  0.00  0.00    +0.261 C 
ATOM     27  F   LIG    1       -6.015   2.901  -2.066  0.00  0.00    -0.205 F 
ATOM     28  F   LIG    1       -4.267   1.598  -2.453  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.116   0.613  -1.125  0.00  0.00    +0.095 C 
ENDBRANCH  23  25
ENDBRANCH  18  21
ENDBRANCH   1  16
TORSDOF 4