REMARK  Name = BDB021281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.322  -0.039  -0.780  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.814  -0.621   0.420  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.442  -0.726   0.531  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.177  -1.369   1.717  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.409  -1.582   2.291  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.438  -0.256  -0.459  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.032   0.268  -1.557  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.418  -1.107   1.488  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.403   0.366  -1.685  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        5.949   0.882  -0.368  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        6.520   0.536  -1.542  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        5.702  -0.016  -2.466  0.00  0.00    +0.153 A 
ATOM     13  C   LIG    1        4.346  -0.220  -2.272  0.00  0.00    +0.149 A 
ATOM     14  F   LIG    1        3.619  -0.781  -3.249  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1        3.764   0.159  -1.061  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        4.600   0.716  -0.085  0.00  0.00    +0.078 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.096   1.539   0.296  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        6.715   1.450   0.631  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  C   LIG    1        1.680  -2.212   3.547  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        1.869  -2.723   4.573  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -1.800  -0.366  -0.291  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.234  -0.233  -1.202  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.465   0.517   0.662  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.904   0.117   0.794  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.889   0.536  -0.095  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.790   1.375  -1.314  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.277   1.633  -1.562  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.047   0.590  -0.923  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.203   0.105   0.041  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.599  -0.752   1.048  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.631  -1.180   1.955  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.304  -0.749   1.822  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.398  -1.188   2.708  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6