REMARK  Name = BDB044918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.060  -2.420   1.519  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -1.055  -1.633   1.893  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1       -1.333  -0.513   1.198  0.00  0.00    -0.196 N 
ATOM      4  C   LIG    1       -2.465  -0.671   0.444  0.00  0.00    +0.172 A 
ATOM      5  C   LIG    1       -2.915   0.448  -0.358  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -2.139   1.627  -0.280  0.00  0.00    +0.079 A 
ATOM      7  N   LIG    1       -0.976   1.721   0.531  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1       -2.520   2.744  -1.028  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.654   2.700  -1.843  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.415   1.533  -1.915  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -4.043   0.414  -1.174  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -4.796  -0.691  -1.267  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.609   0.678   1.229  0.00  0.00    +0.138 A 
ATOM     14  N   LIG    1       -2.937  -1.885   0.627  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1       -2.257  -3.670   1.923  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -2.865  -4.235   1.343  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -1.455  -4.167   2.288  0.00  0.00    +0.145 HD
ENDBRANCH   1  15
BRANCH  13  18
ATOM     18  C   LIG    1        0.621   0.674   2.094  0.00  0.00    +0.111 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.842   0.184   1.348  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        2.475   1.016   0.409  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        3.574   0.522  -0.261  0.00  0.00    +0.166 A 
ATOM     22  O   LIG    1        4.301   1.190  -1.196  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        5.291   0.196  -1.531  0.00  0.00    +0.466 C 
ATOM     24  O   LIG    1        5.137  -1.038  -0.798  0.00  0.00    -0.453 OA
ATOM     25  C   LIG    1        4.050  -0.748  -0.035  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1        3.454  -1.595   0.873  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        2.337  -1.121   1.569  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3