REMARK  Name = BDB021990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.180   2.442   1.101  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.794   1.573   0.326  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1       -2.552   0.544  -0.205  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.005  -0.090  -0.786  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.902   0.242   0.024  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -4.746   1.014   0.823  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -6.091   0.653   1.016  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -6.587  -0.496   0.381  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -5.757  -1.280  -0.435  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -4.414  -0.903  -0.598  0.00  0.00    +0.035 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.981   1.514   1.881  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -7.290   2.700   1.288  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -6.417   1.823   3.080  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -8.175   0.924   2.175  0.00  0.00    -0.166 F 
ENDBRANCH   7  11
BRANCH   9  15
ATOM     15  C   LIG    1       -6.284  -2.530  -1.098  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1       -7.616  -2.469  -1.372  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -5.671  -2.801  -2.284  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -6.109  -3.635  -0.324  0.00  0.00    -0.166 F 
ENDBRANCH   9  15
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.357   1.577  -0.222  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  N   LIG    1        0.083   0.206  -0.594  0.00  0.00    -0.294 NA
ATOM     21  C   LIG    1        0.413  -0.616   0.586  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        1.712  -0.226   1.298  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        2.901  -0.175   0.327  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1        2.540   0.697  -0.886  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        1.224   0.244  -1.523  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.158   0.332   1.058  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.420   0.227   0.236  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        6.020   1.375  -0.299  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.182   1.274  -1.066  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.756   0.027  -1.304  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.170  -1.121  -0.775  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.007  -1.022  -0.009  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7