REMARK  Name = BDB015757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088  -1.189   0.284  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.425   0.037  -0.146  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.430   0.938  -0.234  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.868   0.628   0.120  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.110  -0.658   0.557  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.140  -1.571   0.660  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.801   2.295  -0.715  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.038   2.759  -0.447  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.469   4.014  -0.855  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.820   4.425  -0.510  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.656   4.882  -1.577  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.975   6.005  -1.955  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.301   4.369  -1.901  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.083   3.152  -1.492  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.373  -1.080   0.959  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.262  -2.048   1.258  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.474  -0.943   0.002  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        3.259  -1.823  -1.236  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.768  -1.269   0.734  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        5.168  -2.590   0.997  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        6.356  -2.855   1.682  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.157  -1.805   2.125  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.767  -0.489   1.890  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.580  -0.223   1.204  0.00  0.00    +0.005 A 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -2.073  -2.158   0.435  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -4.377  -1.620   2.022  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -4.420  -1.680   0.523  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -3.256  -1.921  -0.223  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -3.314  -1.990  -1.617  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -2.212  -2.268  -2.329  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -4.513  -1.781  -2.289  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.671  -1.513  -1.560  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -5.625  -1.464  -0.163  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6