REMARK  Name = BDB024572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.053   1.014  -0.435  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.063   0.018  -0.514  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.437  -1.372  -0.878  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.233  -2.050   0.252  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.257  -2.295  -1.221  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.203  -1.549  -2.005  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.725  -0.417  -1.146  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.361  -0.064  -1.076  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.714  -0.631  -1.712  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.773   0.069  -1.350  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.420   1.042  -0.436  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.047   1.006  -0.292  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.859   1.785   0.430  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.214   1.435   0.347  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.666   0.355  -0.426  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.873   2.201  -0.187  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.343   1.505  -0.678  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.301   0.528  -0.716  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.296   2.006   0.218  0.00  0.00    +0.129 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.382   1.819   1.722  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -3.318   0.726   2.281  0.00  0.00    +0.087 C 
ATOM     22  N   LIG    1       -3.712   1.675   3.352  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1       -3.121   1.605   4.181  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.334   2.789   2.453  0.00  0.00    +0.087 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  25
ATOM     25  C   LIG    1       -3.152  -0.153  -1.898  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.078  -0.925  -0.986  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -3.652  -2.096  -0.340  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.525  -2.815   0.477  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.838  -2.383   0.646  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.282  -1.236  -0.008  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.410  -0.514  -0.825  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5