REMARK  Name = BDB041226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.285   0.460   0.953  0.00  0.00    -0.326 N 
ATOM      2  H   LIG    1        0.158   1.373   1.028  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.172   1.568   1.971  0.00  0.00    +0.178 A 
ATOM      4  C   LIG    1       -1.683   0.643   1.046  0.00  0.00    +0.165 A 
ATOM      5  N   LIG    1       -2.502  -0.125   0.301  0.00  0.00    -0.209 NA
ATOM      6  C   LIG    1       -3.825   0.030   0.470  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -4.391   0.902   1.319  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -3.545   1.651   2.053  0.00  0.00    +0.162 A 
BRANCH   6   9
ATOM      9  C   LIG    1       -4.690  -0.789  -0.354  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -6.053  -0.963  -0.195  0.00  0.00    +0.151 A 
ATOM     11  O   LIG    1       -6.515  -1.778  -1.186  0.00  0.00    -0.358 OA
ATOM     12  N   LIG    1       -5.472  -2.179  -1.991  0.00  0.00    -0.083 NA
ATOM     13  C   LIG    1       -4.379  -1.590  -1.491  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.067  -1.815  -2.142  0.00  0.00    +0.070 C 
BRANCH  10  15
ATOM     15  C   LIG    1       -7.085  -0.466   0.769  0.00  0.00    +0.052 C 
ATOM     16  C   LIG    1       -8.115  -1.546   1.112  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -7.779   0.778   0.215  0.00  0.00    +0.015 C 
ENDBRANCH  10  15
ENDBRANCH   6   9
BRANCH   3  19
ATOM     18  C   LIG    1       -1.779   3.114   3.729  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.265   2.317   2.669  0.00  0.00    -0.490 OA
ENDBRANCH   3  19
ENDBRANCH   1   4
BRANCH   1  20
ATOM     20  C   LIG    1        0.167  -0.333  -0.185  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.698  -0.455  -0.172  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        2.172  -1.464  -1.225  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.692  -1.667  -1.179  0.00  0.00    +0.108 C 
ATOM     24  N   LIG    1        4.391  -0.453  -0.713  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1        3.733   0.789  -1.121  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1        2.392   0.907  -0.392  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.745  -0.491  -0.853  0.00  0.00    +0.198 A 
ATOM     28  N   LIG    1        6.583   0.185   0.003  0.00  0.00    -0.321 N 
ATOM     29  C   LIG    1        6.199   0.938   1.173  0.00  0.00    +0.151 C 
ATOM     30  C   LIG    1        7.872  -0.045  -0.394  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        7.781  -0.905  -1.474  0.00  0.00    +0.163 A 
ATOM     32  N   LIG    1        6.444  -1.181  -1.725  0.00  0.00    -0.210 NA
BRANCH  31  33
ATOM     33  C   LIG    1        8.886  -1.502  -2.292  0.00  0.00    +0.436 C 
ATOM     34  F   LIG    1        8.873  -2.861  -2.274  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1       10.114  -1.124  -1.837  0.00  0.00    -0.164 F 
ATOM     36  F   LIG    1        8.829  -1.121  -3.596  0.00  0.00    -0.164 F 
ENDBRANCH  31  33
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 8