REMARK  Name = BDB047581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -1.619   1.603  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.533  -1.154   1.648  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.543  -1.852   0.974  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.211  -3.018   0.266  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.104  -3.492   0.247  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.105  -2.797   0.922  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.751  -0.803   3.542  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.833  -0.864   2.317  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -2.848  -0.267   1.567  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -2.654   0.074   0.155  0.00  0.00    +0.143 C 
ATOM     11  C   LIG    1       -3.881   0.618  -0.542  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1       -5.081   0.855   0.150  0.00  0.00    -0.041 A 
ATOM     13  C   LIG    1       -6.198   1.347  -0.540  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.117   1.630  -1.903  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.924   1.415  -2.588  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.184   0.523   1.615  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1       -3.813   0.910  -1.913  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.817   0.548   2.292  0.00  0.00    +0.113 C 
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        2.964  -1.338   0.988  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.287  -0.287  -0.070  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        4.657   0.291  -0.088  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.938   1.248  -1.060  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        6.206   1.837  -1.138  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        7.200   1.463  -0.235  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.926   0.505   0.741  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.884   1.636  -2.010  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        4.085   2.472  -2.884  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        2.674   1.006  -1.858  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        1.934   1.258  -2.505  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        5.660  -0.083   0.817  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        2.369   0.070  -0.921  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 3