REMARK  Name = BDB051838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.757   0.517   0.300  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.878   1.003  -0.998  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.103   1.722  -1.562  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.021   0.735  -1.744  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.066  -0.005  -1.182  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.989  -0.461   0.145  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.815  -0.200   0.875  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1       -4.434  -0.153  -0.190  0.00  0.00    -0.299 NA
ATOM      9  C   LIG    1       -3.284  -0.323  -1.105  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -1.962  -0.548  -0.350  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1       -1.702   0.509   0.632  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -0.432   0.809   1.122  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.236   1.305   2.231  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.839   0.797   1.507  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1       -4.155   0.976   0.726  0.00  0.00    +0.103 C 
BRANCH   8  16
ATOM     16  C   LIG    1       -5.669   0.058  -0.966  0.00  0.00    +0.087 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -8.179   0.216  -1.042  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -6.968   0.003  -0.130  0.00  0.00    -0.003 C 
ATOM     19  C   LIG    1       -7.112  -1.322   0.621  0.00  0.00    +0.008 C 
ENDBRANCH  16  18
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  C   LIG    1        4.089  -1.276   0.802  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.487  -1.062   0.268  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1        6.259   0.093   0.553  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1        7.532   0.233  -0.010  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        8.076   1.442   0.374  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        7.143   2.067   1.217  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1        7.385   3.579   1.954  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1        8.101  -0.788  -0.854  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1        9.210  -0.725  -1.375  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        7.288  -1.884  -1.045  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1        7.680  -2.611  -1.633  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1        6.060   1.227   1.325  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1        4.665   1.479   2.278  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1        6.032  -2.021  -0.512  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5