REMARK  Name = BDB035912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.392  -1.342   0.051  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.238  -0.717   0.747  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.051  -1.552   0.548  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.396  -1.878  -0.857  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.793  -2.501  -1.481  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.111  -1.698  -1.355  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.101   0.289   1.116  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.245  -0.081   2.093  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.060  -0.607   1.690  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.640  -0.782   0.363  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.580  -0.398  -0.602  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.815   0.146  -0.234  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.845   0.822   1.280  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.524   0.442   0.846  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.436  -0.400   0.292  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.411   0.868   1.558  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.478   1.656   2.495  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.828  -0.686  -1.615  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.133  -0.086  -1.121  0.00  0.00    +0.056 A 
ATOM     20  N   LIG    1       -2.087   1.153  -0.583  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1       -3.253   1.676  -0.126  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1       -4.495   1.035  -0.155  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.747   1.646   0.365  0.00  0.00    -0.027 C 
ATOM     24  C   LIG    1       -6.953   1.080   0.117  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -7.036  -0.251  -0.550  0.00  0.00    +0.172 C 
ATOM     26  C   LIG    1       -5.778  -1.029  -0.831  0.00  0.00    +0.115 C 
ATOM     27  O   LIG    1       -8.128  -0.751  -0.821  0.00  0.00    -0.292 OA
ATOM     28  C   LIG    1       -5.586   2.914   1.174  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -4.512  -0.236  -0.732  0.00  0.00    -0.029 A 
ATOM     30  C   LIG    1       -3.320  -0.806  -1.208  0.00  0.00    +0.029 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -8.317   1.615   0.437  0.00  0.00    +0.421 C 
ATOM     32  F   LIG    1       -9.137   1.652  -0.645  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.937   0.886   1.401  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.297   2.896   0.896  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5