REMARK  Name = BDB040623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.357  -2.947  -1.701  0.00  0.00    +0.225 C 
ATOM      2  N   LIG    1        0.474  -2.130  -2.386  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.802  -1.197  -2.621  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.000  -3.990  -1.156  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.708  -3.454  -0.924  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.805  -2.414  -1.623  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        3.365  -2.230  -3.051  0.00  0.00    +0.027 C 
BRANCH   6   8
ATOM      8  C   LIG    1        2.759  -1.091  -0.857  0.00  0.00    +0.078 A 
ATOM      9  N   LIG    1        2.603   0.037  -1.592  0.00  0.00    -0.150 NA
ATOM     10  N   LIG    1        2.438   1.255  -0.985  0.00  0.00    -0.111 NA
ATOM     11  C   LIG    1        2.410   1.335   0.357  0.00  0.00    +0.242 A 
ATOM     12  C   LIG    1        2.559   0.216   1.149  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.725  -1.021   0.532  0.00  0.00    +0.031 A 
BRANCH  11  14
ATOM     14  O   LIG    1        2.272   2.537   0.999  0.00  0.00    -0.387 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.855   3.575   0.136  0.00  0.00    +0.576 C 
ATOM     16  F   LIG    1        1.610   4.678   0.885  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        0.719   3.267  -0.526  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        2.828   3.900  -0.743  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  C   LIG    1       -0.953  -2.268  -2.206  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.391  -1.407  -1.048  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -1.730  -0.063  -1.242  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -2.032   0.777  -0.157  0.00  0.00    +0.048 A 
ATOM     23 CL   LIG    1       -2.464   2.397  -0.564  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -1.981   0.296   1.161  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1       -1.661  -1.063   1.326  0.00  0.00    +0.129 A 
ATOM     26  F   LIG    1       -1.619  -1.587   2.561  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -1.368  -1.904   0.255  0.00  0.00    +0.044 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -2.232   1.099   2.429  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1       -1.644   2.500   2.436  0.00  0.00    +0.227 C 
ATOM     30  O   LIG    1       -0.439   2.709   2.299  0.00  0.00    -0.275 OA
ATOM     31  N   LIG    1       -2.523   3.545   2.589  0.00  0.00    -0.256 N 
ATOM     32  H   LIG    1       -2.110   4.468   2.583  0.00  0.00    +0.157 HD
ATOM     33  C   LIG    1       -3.888   3.518   2.453  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -4.538   4.559   2.410  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -4.529   2.163   2.284  0.00  0.00    +0.097 C 
ATOM     36  C   LIG    1       -3.686   1.068   2.910  0.00  0.00    +0.027 C 
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7