REMARK  Name = BDB000179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.633   2.665  -1.849  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -2.336   1.487  -0.970  0.00  0.00    +0.041 A 
ATOM      3  N   LIG    1       -1.036   1.211  -0.730  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.711   0.177   0.043  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -1.696  -0.645   0.623  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.257  -1.714   1.423  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        0.103  -1.924   1.615  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        0.997  -1.062   1.001  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -3.060  -0.357   0.372  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1       -4.175  -1.182   0.950  0.00  0.00    +0.044 C 
ATOM     11  N   LIG    1        0.590  -0.040   0.240  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.371   0.733  -0.442  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1        2.355  -1.297   1.215  0.00  0.00    -0.269 N 
ATOM     14  H   LIG    1        2.609  -2.054   1.835  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1        3.449  -0.629   0.755  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1        4.552  -1.021   1.166  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.355   0.547  -0.244  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        3.124   0.034  -1.660  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  N   LIG    1        4.638   1.301  -0.227  0.00  0.00    -0.320 NA
ATOM     20  H   LIG    1        5.388   0.615  -0.356  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        4.783   1.637   0.727  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   8  13
TORSDOF 3