REMARK  Name = BDB056232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.432   0.876  -2.374  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -3.728   0.021  -2.074  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -2.569   0.529  -1.545  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -2.362   0.344  -0.566  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -3.954   0.003  -3.280  0.00  0.00    -0.270 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -4.501  -0.823   0.236  0.00  0.00    +0.134 A 
ATOM      7  C   LIG    1       -4.753  -0.512  -1.117  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -6.044  -0.711  -1.645  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -7.085  -1.202  -0.848  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -6.830  -1.500   0.491  0.00  0.00    +0.062 A 
ATOM     11 CL   LIG    1       -8.059  -2.108   1.545  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -5.550  -1.313   1.028  0.00  0.00    +0.067 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -2.944  -0.968   2.060  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.227  -0.640   0.704  0.00  0.00    -0.494 OA
ENDBRANCH   6  14
BRANCH   9  15
ATOM     15  C   LIG    1       -8.381  -1.382  -1.433  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1       -9.424  -1.519  -1.923  0.00  0.00    -0.191 NA
ENDBRANCH   9  15
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.359   1.627  -1.564  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.024   0.956  -0.299  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1        0.880   1.816   0.528  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        2.370   1.504   0.408  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        2.682   0.058   0.819  0.00  0.00    +0.063 C 
ATOM     22  C   LIG    1        1.463  -0.861   0.616  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        0.597  -0.380  -0.548  0.00  0.00    +0.085 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.883  -0.449   0.018  0.00  0.00    +0.166 C 
ATOM     25  O   LIG    1        3.735  -1.131  -0.996  0.00  0.00    -0.292 OA
BRANCH  24  26
ATOM     26  C   LIG    1        5.276  -0.093   0.445  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        6.345  -0.575  -0.330  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.665  -0.278   0.014  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.919   0.501   1.134  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        9.184   0.789   1.468  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.878   0.988   1.915  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        5.554   0.693   1.573  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8