REMARK  Name = BDB032151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.813  -0.111  -0.794  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.912  -0.636   0.123  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.868  -0.462   1.324  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.997  -1.502  -0.630  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -3.434  -1.536  -1.949  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.746  -2.286  -2.873  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -1.619  -3.003  -2.472  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.183  -2.974  -1.127  0.00  0.00    -0.007 A 
ATOM      9  F   LIG    1       -3.150  -2.327  -4.148  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -1.885  -2.199  -0.190  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.657  -0.711  -2.114  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -9.106   1.920   1.999  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -8.148   1.535   1.334  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -8.026   0.218   0.969  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.746  -0.405   1.308  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.095  -0.344   0.126  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -7.201  -1.519  -0.222  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -6.027   0.612  -0.430  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -5.788   1.770   0.538  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -7.103   2.486   0.800  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        0.049  -3.738  -0.713  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.212  -3.015  -1.134  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.816  -2.262  -0.177  0.00  0.00    +0.405 C 
ATOM     24  N   LIG    1        2.884  -1.636  -0.754  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        2.994  -1.851  -1.734  0.00  0.00    +0.158 HD
ATOM     26  O   LIG    1        1.437  -2.188   0.980  0.00  0.00    -0.226 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.814  -0.765  -0.164  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        3.781  -0.383   1.173  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.751   0.491   1.684  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        5.787   1.019   0.891  0.00  0.00    -0.044 A 
ATOM     31  C   LIG    1        5.792   0.616  -0.457  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1        4.827  -0.257  -0.978  0.00  0.00    +0.024 A 
BRANCH  30  33
ATOM     33  C   LIG    1        6.873   2.004   1.500  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1        8.381   1.679   1.299  0.00  0.00    +0.008 C 
ATOM     35  C   LIG    1        8.629   3.200   1.237  0.00  0.00    +0.001 C 
ATOM     36  C   LIG    1        7.166   3.349   0.775  0.00  0.00    +0.008 C 
ENDBRANCH  30  33
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 6