REMARK  Name = BDB048162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.676   3.473   0.416  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.458   2.798   0.254  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.436   1.402   0.219  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.637   0.659   0.341  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.845   1.346   0.507  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        2.865   2.741   0.543  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.561  -0.756   0.295  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.925  -1.410   1.580  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        3.211  -2.258   1.464  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.132  -3.312   0.428  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.467  -3.787   0.074  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        2.373  -2.858  -0.758  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.240  -1.325  -0.894  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1       -0.736   0.631   0.071  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -0.531  -0.367   0.104  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -2.032   1.059  -0.062  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -2.427   2.217  -0.129  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.043  -0.018  -0.226  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -3.140  -1.144   0.616  0.00  0.00    +0.059 A 
ATOM     20 CL   LIG    1       -2.093  -1.327   1.988  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1       -4.130  -2.126   0.379  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.276  -3.340   1.256  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -5.016  -1.947  -0.693  0.00  0.00    +0.158 A 
ATOM     24  F   LIG    1       -5.978  -2.858  -0.904  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -4.920  -0.825  -1.508  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1       -3.950   0.151  -1.284  0.00  0.00    +0.050 A 
BRANCH  25  27
ATOM     27  N   LIG    1       -5.842  -0.670  -2.611  0.00  0.00    +0.059 N 
ATOM     28  O   LIG    1       -5.981  -1.632  -3.377  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1       -6.395   0.431  -2.729  0.00  0.00    -0.126 OA
ENDBRANCH  25  27
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  30
ATOM     30  C   LIG    1        1.766   4.959   0.462  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1        2.819   5.562   0.606  0.00  0.00    -0.245 OA
BRANCH  30  33
ATOM     32  C   LIG    1        0.550   6.951   0.359  0.00  0.00    +0.280 C 
ATOM     33  O   LIG    1        0.543   5.524   0.323  0.00  0.00    -0.464 OA
ENDBRANCH  30  33
ENDBRANCH   1  30
TORSDOF 6