REMARK  Name = BDB016218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.468  -2.337  -0.469  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.099  -0.980  -0.170  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.024  -0.042  -0.115  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.244   1.065   0.659  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -2.480   1.736   0.752  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.578   2.862   1.590  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.484   3.332   2.310  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.262   2.684   2.197  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -3.673   1.421   0.073  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.471   2.021   0.253  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.007   0.455  -0.821  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.156   0.453  -1.271  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.120   1.558   1.369  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -3.010  -0.554  -1.297  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.255   0.942   1.332  0.00  0.00    +0.252 C 
ATOM     16  N   LIG    1        1.523   0.103   0.269  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.753  -0.052  -0.373  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        2.044   1.236   2.225  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.713  -0.595  -0.015  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.870  -0.521   0.761  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        5.010  -1.251   0.407  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.002  -2.059  -0.727  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.854  -2.139  -1.510  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.716  -1.411  -1.155  0.00  0.00    +0.023 A 
ENDBRANCH  16  19
ENDBRANCH  13  15
TORSDOF 2