REMARK  Name = BDB051848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.099  -0.229   0.640  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.400   0.253   1.909  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.587  -0.003   2.478  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.471   1.022   2.601  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.771   1.297   2.023  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.091   0.804   0.746  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.144   0.030   0.055  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.983  -2.289   0.123  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.064  -1.078  -0.063  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.979  -0.481  -0.925  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -4.005  -1.339  -1.514  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -5.178  -1.632  -0.559  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -5.596  -0.563   0.359  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1       -4.951  -0.560   1.152  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.631   0.768  -0.240  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -4.291   1.502  -0.138  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -3.199   0.959  -1.057  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1        2.455   1.071   0.136  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.542   0.046   0.401  0.00  0.00    +0.046 A 
ATOM     20  N   LIG    1        4.851   0.238  -0.126  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        5.853  -0.704   0.120  0.00  0.00    +0.114 A 
ATOM     22  C   LIG    1        7.027  -0.302  -0.485  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        6.764   0.917  -1.129  0.00  0.00    +0.078 A 
ATOM     24 CL   LIG    1        7.915   1.799  -2.015  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        5.600  -1.888   0.902  0.00  0.00    +0.273 A 
ATOM     26  O   LIG    1        6.436  -2.749   1.153  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        4.308  -1.991   1.366  0.00  0.00    -0.326 N 
ATOM     28  H   LIG    1        4.112  -2.822   1.914  0.00  0.00    +0.168 HD
ATOM     29  C   LIG    1        5.443   1.225  -0.902  0.00  0.00    +0.133 A 
ATOM     30 CL   LIG    1        4.604   2.604  -1.469  0.00  0.00    -0.062 Cl
ATOM     31  C   LIG    1        3.318  -1.070   1.131  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3