REMARK  Name = BDB003111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.197   0.081   0.111  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1        1.281   0.923   0.562  0.00  0.00    +0.243 C 
ATOM      3  C   LIG    1        2.502   0.205   0.094  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.129  -0.974  -0.541  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.050  -1.860  -1.071  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        4.400  -1.529  -0.953  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.792  -0.336  -0.318  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.840   0.543   0.212  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        0.663  -1.061  -0.526  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.063  -2.008  -1.002  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.680  -0.858  -0.030  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.514  -0.003   0.366  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1       -2.207  -0.398   0.052  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.136   0.421   0.399  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -1.327   1.613   1.022  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -2.596   1.982   1.305  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -3.708   1.222   0.997  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  O   LIG    1        1.205   2.190  -0.058  0.00  0.00    -0.370 OA
ATOM     19  H   LIG    1        0.291   2.474   0.141  0.00  0.00    +0.212 HD
ENDBRANCH   2  18
TORSDOF 2