REMARK  Name = BDB007556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.146   2.660  -2.015  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.392   1.735  -1.415  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.191   0.496  -1.284  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.207  -0.165  -0.625  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.718   1.941  -0.772  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -2.506   0.887  -0.301  0.00  0.00    +0.156 A 
ATOM      7  F   LIG    1       -2.081  -0.385  -0.416  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.772   1.101   0.282  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -4.195   2.425   0.446  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -3.422   3.491  -0.022  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.195   3.251  -0.639  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.490  -0.004   0.766  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1       -4.131  -0.870   0.359  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.949   0.045   0.901  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1       -6.322   0.192   2.374  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -7.839   0.259   2.530  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -8.541  -0.353   1.445  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -7.917  -1.552   0.998  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -6.575  -1.241   0.340  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        1.579   0.266  -1.655  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.848  -1.225  -1.869  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.618  -1.932  -0.638  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        1.823  -2.869  -0.800  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.246  -1.546  -2.456  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.484  -1.128  -1.787  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.526  -1.406  -0.345  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.845  -1.019   0.295  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.701  -0.086  -0.319  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.897   0.282   0.311  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.231  -0.252   1.555  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.377  -1.161   2.175  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.363   0.459  -1.684  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.189  -1.541   1.551  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.887   0.254  -2.059  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8