REMARK  Name = BDB024555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.055  -0.281  -0.136  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.977  -0.277   0.760  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.314  -0.553   2.165  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.535   0.743   2.951  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.284  -1.482   2.799  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.901  -0.869   2.748  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.587  -0.276   1.402  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.244   0.032   1.082  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.882  -0.180   1.836  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.898   0.247   1.113  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.456   0.785  -0.084  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1       -0.083   0.630  -0.127  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.894   0.953  -1.067  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.225   0.651  -0.747  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.600   0.022   0.452  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.231  -0.271   0.221  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.295   1.377  -1.108  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -2.361   0.574  -2.408  0.00  0.00    +0.106 C 
ATOM     19  N   LIG    1       -2.703   1.586  -3.413  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -2.481   1.254  -4.351  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -1.895   2.753  -3.064  0.00  0.00    +0.083 C 
ATOM     22  C   LIG    1       -1.921   2.801  -1.542  0.00  0.00    +0.041 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        5.801  -0.460  -2.356  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        4.701  -0.383  -1.449  0.00  0.00    -0.453 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -3.334   0.141   1.538  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.125  -0.886   0.755  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -3.671  -2.210   0.649  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.402  -3.156  -0.071  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.599  -2.793  -0.685  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.068  -1.485  -0.575  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.339  -0.538   0.146  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 4