REMARK  Name = BDB042801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -0.548   0.209  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1       -1.099   0.183  -0.642  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1       -2.520  -0.299  -0.296  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -2.669  -1.638   0.283  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.955  -2.105   0.548  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -5.097  -1.226   0.267  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -4.792  -0.002  -0.274  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -5.565   0.619  -0.497  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -6.244  -1.580   0.509  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -4.150  -3.390   1.054  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -3.041  -4.194   1.263  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -3.207  -5.440   1.725  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.753  -3.732   0.994  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -1.547  -2.425   0.534  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1       -3.545   0.457  -0.570  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -0.252  -2.008   0.207  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1        0.433  -2.519   0.763  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        5.631   0.612  -0.601  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        4.190   0.382  -0.613  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1        3.508   1.132   0.432  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1        1.995   1.096   0.185  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        1.453  -0.270  -0.316  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        2.488  -1.358   0.031  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        3.879  -1.049  -0.546  0.00  0.00    +0.084 C 
ENDBRANCH   1  22
BRANCH   2  25
ATOM     25  C   LIG    1       -1.023   1.709  -0.553  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -0.779   2.526  -1.672  0.00  0.00    +0.045 A 
ATOM     27 CL   LIG    1       -0.507   1.883  -3.253  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -0.728   3.919  -1.540  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.928   4.519  -0.298  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -1.185   3.729   0.817  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.236   2.340   0.692  0.00  0.00    +0.006 A 
ENDBRANCH   2  25
TORSDOF 2