REMARK  Name = BDB049319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.128  -0.966  -0.221  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.028  -1.293  -1.091  0.00  0.00    -0.287 NA
ATOM      3  C   LIG    1        0.006  -2.650  -1.614  0.00  0.00    +0.106 C 
ATOM      4  C   LIG    1       -1.249  -0.826  -0.368  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -1.578  -1.743   0.860  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -3.058  -1.723   1.248  0.00  0.00    +0.002 C 
ATOM      7  C   LIG    1       -3.946  -2.266   0.132  0.00  0.00    +0.000 C 
ATOM      8  C   LIG    1       -3.378  -2.014  -1.262  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -2.494  -0.767  -1.309  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -0.735   0.617   0.047  0.00  0.00    +0.101 C 
ATOM     11  C   LIG    1       -0.960   1.701  -1.021  0.00  0.00    -0.009 A 
ATOM     12  C   LIG    1       -1.730   2.733  -0.489  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.086   3.853  -1.210  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.637   3.926  -2.528  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -0.855   2.903  -3.088  0.00  0.00    +0.020 A 
ATOM     16 CL   LIG    1       -2.049   5.297  -3.487  0.00  0.00    -0.083 Cl
ATOM     17  N   LIG    1       -2.052   2.454   0.825  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -2.578   3.056   1.442  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -0.508   1.779  -2.332  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.506   1.250   1.246  0.00  0.00    +0.230 C 
ATOM     21  O   LIG    1       -1.620   0.816   2.381  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1        0.803   0.461   0.290  0.00  0.00    +0.069 C 
ENDROOT
BRANCH  22  23
ATOM     23  C   LIG    1        1.342   0.838   1.664  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        1.653   2.187   1.913  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        1.465   3.087   0.933  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        2.140   2.611   3.150  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        2.512   4.269   3.427  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        2.326   1.688   4.174  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        2.014   0.347   3.955  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        1.523  -0.075   2.714  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH   1  34
ATOM     31  C   LIG    1        5.840  -1.924  -0.802  0.00  0.00    +0.111 C 
ATOM     32  C   LIG    1        4.517  -1.395  -1.170  0.00  0.00    +0.214 A 
ATOM     33  O   LIG    1        3.497  -1.581  -0.275  0.00  0.00    -0.423 OA
ATOM     34  C   LIG    1        2.450  -0.976  -0.924  0.00  0.00    +0.235 A 
ATOM     35  N   LIG    1        2.797  -0.478  -2.094  0.00  0.00    -0.111 NA
ATOM     36  N   LIG    1        4.139  -0.752  -2.253  0.00  0.00    -0.113 NA
ENDBRANCH   1  34
TORSDOF 2