REMARK  Name = BDB029416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.533  -1.568   0.093  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -2.944  -0.158   0.070  0.00  0.00    +0.068 C 
ATOM      3  C   LIG    1       -1.444  -0.178  -0.120  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1       -0.828   0.371   1.002  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        0.542   0.489   1.119  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.343   0.032   0.058  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        0.712  -0.526  -1.083  0.00  0.00    +0.009 A 
ATOM      8  N   LIG    1       -1.784   0.753   1.928  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -1.603   1.174   2.826  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -0.681  -0.634  -1.179  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.070   0.483   1.474  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.098   0.718   2.088  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.637   0.727  -0.965  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1        2.810   0.131   0.127  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        3.620  -0.998  -0.043  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.997  -0.856   0.033  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        5.618   0.319   0.263  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        4.827   1.399   0.424  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        3.442   1.356   0.368  0.00  0.00    +0.028 A 
ENDBRANCH   6  14
TORSDOF 1