REMARK  Name = BDB024588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.602  -0.409   1.125  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.588   0.500   0.769  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.028   1.906   0.701  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.914   2.144  -0.535  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.876   2.905   0.760  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.868   2.599  -0.327  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.405   1.177  -0.199  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.108   0.826  -0.641  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.164   1.618  -1.239  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.896   0.858  -1.446  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.651  -0.438  -1.020  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.627  -0.462  -0.481  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.391  -1.453   0.134  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.684  -1.104   0.553  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.239   0.172   0.360  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.668  -0.060   1.632  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.421  -2.611   1.107  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.359  -1.708   0.798  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.510  -1.625  -1.130  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -1.701  -2.021  -2.602  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.830  -1.535  -0.314  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -3.658  -2.841  -0.330  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.426  -3.687   0.918  0.00  0.00    +0.081 C 
ATOM     24  N   LIG    1       -3.775  -2.996   2.156  0.00  0.00    -0.316 NA
ATOM     25  H   LIG    1       -4.717  -3.249   2.452  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.675  -1.538   2.080  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -2.560  -1.091   1.142  0.00  0.00    +0.020 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.158   1.380  -2.073  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.152   1.987  -1.102  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.741   2.817  -0.048  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.675   3.382   0.822  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.035   3.141   0.640  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.462   2.342  -0.417  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.529   1.777  -1.288  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5