REMARK  Name = BDB046097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.943  -2.748  -0.397  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        0.155  -1.551  -0.176  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1       -1.226  -1.512  -0.195  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.609  -0.178  -0.007  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -2.987   0.144  -0.019  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.516   1.527   0.106  0.00  0.00    +0.245 C 
ATOM      7  N   LIG    1       -2.766   2.560   0.605  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1       -3.305   3.415   0.674  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.508   2.499   1.323  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -0.345   2.041   0.451  0.00  0.00    +0.056 C 
ATOM     11  O   LIG    1       -4.672   1.772  -0.241  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.924  -0.891  -0.212  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.520  -2.211  -0.376  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.406   0.575   0.170  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1       -2.166  -2.542  -0.371  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        0.670  -0.296   0.071  0.00  0.00    +0.053 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.099  -0.010   0.190  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.812  -0.421   1.322  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.176  -0.143   1.434  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.832   0.550   0.417  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.126   0.968  -0.710  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.762   0.691  -0.823  0.00  0.00    +0.010 A 
ENDBRANCH  16  17
TORSDOF 1