REMARK  Name = BDB060536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.491   0.292  -1.067  0.00  0.00    +0.175 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.384  -0.408  -0.012  0.00  0.00    +0.084 A 
ATOM      3  N   LIG    1        1.486   0.139   1.234  0.00  0.00    -0.248 NA
ATOM      4  C   LIG    1        2.231  -0.478   2.169  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        2.899  -1.693   1.922  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        3.662  -2.303   2.933  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.765  -1.710   4.190  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.109  -0.511   4.439  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.772  -2.260   0.652  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.351   0.091   3.430  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.008  -1.619  -0.319  0.00  0.00    +0.027 A 
ENDBRANCH   1   2
BRANCH   1  15
ATOM     12  C   LIG    1       -3.606  -1.248  -1.264  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.999  -0.698  -2.391  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -1.686  -0.216  -2.319  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -0.942  -0.279  -1.125  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1       -1.577  -0.825   0.005  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -2.889  -1.305  -0.069  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.636  -1.734  -2.397  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.875  -1.751  -1.196  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   1  20
ATOM     20  C   LIG    1        0.477   1.835  -0.931  0.00  0.00    +0.083 A 
ATOM     21  N   LIG    1        1.077   2.539  -1.945  0.00  0.00    -0.256 NA
ATOM     22  C   LIG    1        1.062   3.888  -1.861  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        0.471   4.590  -0.825  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.142   3.870   0.192  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -0.144   2.478   0.141  0.00  0.00    +0.027 A 
ENDBRANCH   1  20
BRANCH   1  26
ATOM     26  O   LIG    1        1.096   0.001  -2.362  0.00  0.00    -0.372 OA
ATOM     27  H   LIG    1        1.377   0.883  -2.687  0.00  0.00    +0.212 HD
ENDBRANCH   1  26
TORSDOF 5