REMARK  Name = BDB016202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.370   3.012  -0.882  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.769   1.639  -0.332  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.570   0.822  -0.234  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.877   1.062  -0.957  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.686  -0.576  -0.105  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -2.771  -1.233   0.527  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.774  -2.641   0.623  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.716  -3.414   0.159  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.620  -2.789  -0.411  0.00  0.00    +0.017 A 
ATOM     10  N   LIG    1       -3.913  -0.637   1.103  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.628  -1.268   1.449  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.270   0.646   1.354  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.364   0.847   1.894  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.590  -1.389  -0.533  0.00  0.00    +0.082 A 
ATOM     15  C   LIG    1       -3.357   1.788   1.053  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.601  -0.766  -1.184  0.00  0.00    +0.341 C 
ATOM     17  O   LIG    1        0.559   0.292  -1.796  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        1.704  -1.526  -0.975  0.00  0.00    -0.456 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.933  -0.993  -1.482  0.00  0.00    +0.268 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.684  -0.319  -0.364  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        3.536   1.056  -0.138  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.214   1.679   0.911  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.042   0.932   1.748  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.187  -0.439   1.540  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.508  -1.063   0.492  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
TORSDOF 4