REMARK  Name = BDB025137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.411  -0.517   0.107  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.501   0.004  -0.830  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.962   0.989  -1.841  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.884   0.330  -2.883  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.841   1.702  -2.613  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.680   2.019  -1.699  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.169   0.718  -1.156  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.788   0.461  -1.022  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.273   1.262  -1.353  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.364   0.597  -1.018  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1       -1.038  -0.653  -0.519  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.344  -0.740  -0.487  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.233  -1.727  -0.054  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.603  -1.461  -0.181  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.090  -0.261  -0.719  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.154  -1.303   1.013  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.938  -1.728  -0.100  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.758  -1.375   1.150  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.588  -2.567   1.657  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.150  -3.446   0.530  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.185  -2.726  -0.813  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.787  -2.294  -1.255  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.769  -3.421   2.598  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -1.567  -3.620   2.541  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.522  -4.014   3.543  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -2.881  -4.535   4.072  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.631  -0.487   0.888  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.672  -0.013  -0.058  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.743   1.158  -1.190  0.00  0.00    +0.131 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.119   2.162  -0.129  0.00  0.00    +0.067 A 
ATOM     31  N   LIG    1       -4.251   1.927   0.589  0.00  0.00    -0.256 NA
ATOM     32  C   LIG    1       -4.570   2.868   1.510  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -3.811   4.012   1.721  0.00  0.00    +0.056 A 
ATOM     34  C   LIG    1       -4.213   5.018   2.752  0.00  0.00    +0.067 C 
ATOM     35  N   LIG    1       -2.690   4.253   1.002  0.00  0.00    -0.257 NA
ATOM     36  C   LIG    1       -2.362   3.311   0.082  0.00  0.00    +0.134 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6