REMARK  Name = BDB034502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.471  -1.760  -1.810  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.406  -1.019  -1.138  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.088  -1.454  -1.347  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.164  -2.547  -1.861  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.089  -0.609  -0.950  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1       -0.933   0.742  -0.921  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1       -2.028   1.484  -0.609  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -3.281   0.962  -0.326  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1       -4.359   1.820  -0.012  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.533   1.311   0.254  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1       -5.708  -0.112   0.216  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1       -4.664  -0.944  -0.097  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -5.137  -2.226  -0.060  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -6.412  -2.261   0.269  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -6.775  -0.949   0.451  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -3.392  -0.433  -0.380  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -2.303  -1.241  -0.696  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -6.543   2.181   0.545  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -6.316   3.133   0.280  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.472   1.898   0.259  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        1.763   0.184  -0.361  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1        3.091   0.142   0.299  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        3.965   1.008  -0.323  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        5.274   1.130   0.079  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        5.676   0.348   1.162  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1        4.813  -0.508   1.807  0.00  0.00    -0.250 NA
ATOM     27  O   LIG    1        3.412   1.694  -1.369  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1        3.540  -0.599   1.361  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        1.986   1.435  -1.243  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  C   LIG    1        7.113   0.472   1.652  0.00  0.00    +0.434 C 
ATOM     31  F   LIG    1        7.358   1.676   2.246  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        7.483  -0.474   2.561  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        8.021   0.378   0.635  0.00  0.00    -0.164 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4