REMARK  Name = BDB016151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.238  -1.310   2.217  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        2.864  -1.974   0.894  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        1.993  -1.141   0.085  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.050  -1.098   0.467  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.378   0.072  -0.502  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        3.710   0.467  -0.769  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.961   1.726  -1.353  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.932   2.580  -1.732  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.621   2.184  -1.537  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.888  -0.258  -0.499  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        5.765   0.226  -0.653  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        5.122  -1.528  -0.094  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        6.294  -1.879   0.076  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.323   0.944  -0.941  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.010  -2.509   0.073  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.105   0.598  -0.783  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -0.888   1.236   0.195  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -2.220   0.880   0.310  0.00  0.00    +0.041 A 
ATOM     19  N   LIG    1       -3.178   1.372   1.201  0.00  0.00    -0.273 N 
ATOM     20  C   LIG    1       -4.419   0.760   1.005  0.00  0.00    +0.230 C 
ATOM     21  C   LIG    1       -4.256  -0.254  -0.153  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1       -5.177   0.134  -1.309  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.554  -1.665   0.355  0.00  0.00    +0.025 C 
ATOM     24  O   LIG    1       -5.449   0.978   1.627  0.00  0.00    -0.274 OA
ATOM     25  C   LIG    1       -2.918   2.381   2.192  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1       -2.798  -0.085  -0.515  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1       -2.049  -0.726  -1.487  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -0.701  -0.378  -1.616  0.00  0.00    +0.009 A 
ENDBRANCH  14  16
TORSDOF 1