REMARK  Name = BDB051845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.830   0.763  -1.528  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.707   2.082  -1.114  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.783   2.801  -0.765  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.549   2.674  -1.048  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.687   1.940  -1.400  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.580   0.599  -1.812  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.300   0.025  -1.899  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.756   0.944   2.230  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1        4.630   0.296   1.558  0.00  0.00    -0.304 NA
ATOM     10  C   LIG    1        5.040  -0.174   0.219  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        4.022  -1.034  -0.554  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1        2.653  -0.518  -0.492  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1        2.156   0.139  -1.618  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        2.726   0.191  -2.704  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.002  -0.443   0.825  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        2.666  -1.268   1.927  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        4.032  -0.740   2.401  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1       -2.784  -0.220  -2.241  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.078   0.089  -1.522  0.00  0.00    +0.046 A 
ATOM     20  N   LIG    1       -4.336  -0.304  -0.183  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -5.537   0.067   0.429  0.00  0.00    +0.114 A 
ATOM     22  C   LIG    1       -5.547  -0.377   1.736  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -4.346  -1.074   1.945  0.00  0.00    +0.078 A 
ATOM     24 CL   LIG    1       -3.920  -1.827   3.408  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -6.550   0.808  -0.282  0.00  0.00    +0.273 A 
ATOM     26  O   LIG    1       -7.623   1.157   0.199  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -6.223   1.109  -1.586  0.00  0.00    -0.326 N 
ATOM     28  H   LIG    1       -6.928   1.628  -2.096  0.00  0.00    +0.168 HD
ATOM     29  C   LIG    1       -3.640  -1.037   0.766  0.00  0.00    +0.133 A 
ATOM     30 CL   LIG    1       -2.143  -1.800   0.452  0.00  0.00    -0.062 Cl
ATOM     31  C   LIG    1       -5.037   0.771  -2.186  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3