REMARK  Name = BDB018787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.607   0.334  -0.250  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.809   0.110   0.876  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.569   0.263   0.772  0.00  0.00    +0.074 A 
ATOM      4  N   LIG    1        1.398   0.018   1.876  0.00  0.00    -0.281 N 
ATOM      5  H   LIG    1        1.006  -0.141   2.794  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.772   0.047   1.778  0.00  0.00    +0.242 C 
ATOM      7  C   LIG    1        3.359   0.137   0.340  0.00  0.00    +0.128 C 
ATOM      8  C   LIG    1        4.787   0.726   0.371  0.00  0.00    +0.151 C 
ATOM      9  N   LIG    1        5.731  -0.421   0.151  0.00  0.00    -0.267 N 
ATOM     10  C   LIG    1        4.942  -1.669   0.257  0.00  0.00    +0.119 C 
ATOM     11  N   LIG    1        2.491   0.926  -0.552  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        2.749   1.000  -1.532  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        3.558  -1.274  -0.229  0.00  0.00    +0.056 C 
ATOM     14  O   LIG    1        3.457  -0.107   2.788  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1        1.128   0.663  -0.450  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1        0.386   0.876  -1.548  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1       -0.955   0.710  -1.426  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -2.972  -2.219  -1.033  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.735  -1.009  -0.558  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -3.060   0.185  -0.197  0.00  0.00    -0.003 A 
ATOM     21  C   LIG    1       -3.833   1.287   0.240  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -5.217   1.175   0.301  0.00  0.00    +0.066 A 
ATOM     23  N   LIG    1       -5.664   2.389   0.752  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1       -6.623   2.673   0.918  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -4.687   3.280   0.992  0.00  0.00    -0.181 NA
ATOM     26  C   LIG    1       -5.904   0.013  -0.053  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -3.576   2.611   0.676  0.00  0.00    +0.143 A 
ATOM     28  C   LIG    1       -5.136  -1.073  -0.484  0.00  0.00    +0.006 A 
ENDBRANCH   1  20
BRANCH   9  29
ATOM     29  C   LIG    1        7.043  -0.349   0.417  0.00  0.00    +0.169 C 
ATOM     30  N   LIG    1        8.176  -0.291   0.645  0.00  0.00    -0.174 NA
ENDBRANCH   9  29
TORSDOF 2