REMARK  Name = BDB008497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.268   0.835   0.296  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.814   0.022   0.648  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.679   0.414   1.680  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.420   1.617   2.359  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.347   2.433   1.989  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.495   2.049   0.948  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.665   0.381  -1.940  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.147   0.413  -0.812  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.474   0.079  -0.527  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1        2.897  -0.307   0.830  0.00  0.00    +0.184 C 
ATOM     11  C   LIG    1        4.379  -0.394   0.931  0.00  0.00    +0.151 A 
ATOM     12  N   LIG    1        5.111  -0.582   2.006  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1        6.432  -0.602   1.622  0.00  0.00    -0.125 NA
ATOM     14  C   LIG    1        6.489  -0.424   0.313  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1        5.210  -0.302  -0.152  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1        4.745  -0.068  -1.501  0.00  0.00    +0.144 C 
ATOM     17  C   LIG    1        3.274  -0.451  -1.636  0.00  0.00    +0.130 C 
BRANCH  14  18
ATOM     18  C   LIG    1        7.685  -0.357  -0.559  0.00  0.00    +0.452 C 
ATOM     19  F   LIG    1        7.674   0.767  -1.327  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        7.724  -1.404  -1.427  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1        8.857  -0.359   0.120  0.00  0.00    -0.163 F 
ENDBRANCH  14  18
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -2.840  -0.456   2.107  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.610  -1.079   0.950  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -4.539  -0.249   0.140  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -5.209  -0.882  -0.905  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -6.102  -0.171  -1.716  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.324   1.185  -1.478  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.657   1.824  -0.434  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.969  -2.313  -1.151  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -5.542  -2.913  -2.053  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.076  -2.929  -0.309  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -3.898  -3.917  -0.465  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -4.766   1.112   0.376  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -3.406  -2.344   0.719  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4