REMARK  Name = BDB007096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.174   1.237   0.024  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.347   2.226   0.575  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.040   2.184   0.335  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        2.124   3.010   0.737  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.272   2.489   0.191  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        2.932   1.364  -0.521  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        1.565   1.160  -0.461  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.744   0.176  -1.036  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.632   0.233  -0.784  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -3.173   2.399   0.482  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -2.635   1.313   0.302  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1       -3.305   0.109   0.368  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1       -2.783  -0.755   0.336  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.735   0.052   0.630  0.00  0.00    +0.073 C 
ATOM     15  C   LIG    1       -5.183  -1.361   0.993  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -5.343  -2.079  -0.346  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -5.550  -0.985  -1.393  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.552   0.336  -0.630  0.00  0.00    +0.022 C 
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        3.893   0.551  -1.259  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.651  -0.373  -0.344  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        5.967  -0.073   0.027  0.00  0.00    +0.131 A 
ATOM     22  F   LIG    1        6.555   1.035  -0.447  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        6.690  -0.899   0.879  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        6.086  -2.045   1.373  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        6.771  -2.851   2.195  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.778  -2.372   1.028  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        4.058  -1.537   0.171  0.00  0.00    +0.011 A 
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4