REMARK  Name = BDB025638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.025  -0.808  -0.789  0.00  0.00    -0.280 N 
ATOM      2  H   LIG    1        0.492  -0.113  -0.267  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        2.378  -0.653  -0.945  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        3.160  -1.413  -1.501  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.890   0.601  -0.315  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        3.911   0.584   0.730  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        4.338   1.751   1.253  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        3.796   3.043   0.766  0.00  0.00    +0.249 A 
ATOM      9  O   LIG    1        4.176   4.108   1.234  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        2.851   2.956  -0.225  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1        2.486   3.840  -0.562  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        2.408   1.773  -0.761  0.00  0.00    +0.099 A 
BRANCH   6  13
ATOM     13  C   LIG    1        4.424  -0.738   1.220  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        5.242  -1.343   0.328  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.152  -0.598   2.363  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        3.421  -1.600   1.522  0.00  0.00    -0.166 F 
ENDBRANCH   6  13
ENDBRANCH   3   5
BRANCH   1  18
ATOM     17  C   LIG    1       -1.168  -1.749  -0.895  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        0.210  -1.877  -1.213  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        0.682  -3.009  -1.878  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -0.206  -4.027  -2.225  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -1.554  -3.905  -1.907  0.00  0.00    +0.125 A 
ATOM     22  F   LIG    1       -2.401  -4.886  -2.248  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -2.042  -2.781  -1.249  0.00  0.00    +0.063 A 
BRANCH  17  28
ATOM     24  C   LIG    1       -3.510   2.828   1.427  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -2.673   1.794   0.831  0.00  0.00    -0.302 NA
ATOM     26  C   LIG    1       -2.591   0.595   1.697  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -2.426  -0.756   0.948  0.00  0.00    +0.120 C 
ATOM     28  N   LIG    1       -1.598  -0.564  -0.254  0.00  0.00    -0.326 N 
ATOM     29  C   LIG    1       -2.165   0.421  -1.213  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1       -3.119   1.433  -0.523  0.00  0.00    +0.103 C 
ENDBRANCH  17  28
ENDBRANCH   1  18
TORSDOF 4