REMARK  Name = BDB031120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.713  -0.047   0.437  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.577  -0.660   0.037  0.00  0.00    +0.100 A 
ATOM      3  N   LIG    1       -2.276  -1.963   0.457  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -3.129  -2.702   1.274  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -2.659  -3.905   1.518  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.466  -3.958   0.853  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -4.334  -2.080   1.694  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.184  -2.777   0.186  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -4.616  -0.825   1.300  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.027  -2.425  -0.627  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        0.384  -1.141  -0.524  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        1.464  -0.761  -1.231  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.149  -1.633  -2.065  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        1.723  -2.954  -2.159  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.618  -3.363  -1.423  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1        1.812   0.579  -1.088  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        1.141   0.946  -0.414  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.210   0.865  -0.707  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        3.593   0.252   0.659  0.00  0.00    +0.189 C 
ATOM     20  F   LIG    1        4.187  -0.960   0.418  0.00  0.00    -0.243 F 
ATOM     21  C   LIG    1        4.583   1.097   1.453  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        5.495   1.875   0.515  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1        4.751   2.843  -0.291  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1        5.290   3.075  -1.126  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        3.403   2.397  -0.663  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  27
ATOM     26  C   LIG    1       -4.040   2.294   1.289  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -4.131   1.379   0.056  0.00  0.00    +0.184 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.303   2.032  -1.093  0.00  0.00    +0.422 C 
ATOM     29  F   LIG    1       -3.292   1.277  -2.214  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1       -3.855   3.227  -1.432  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1       -2.021   2.271  -0.736  0.00  0.00    -0.167 F 
ENDBRANCH  27  28
BRANCH  27  32
ATOM     32  O   LIG    1       -5.535   1.331  -0.312  0.00  0.00    -0.376 OA
ATOM     33  H   LIG    1       -5.743   2.163  -0.778  0.00  0.00    +0.211 HD
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 6