REMARK  Name = BDB025521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.977   1.772   1.853  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.080   1.299   1.031  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.192   0.923  -0.327  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        1.494   0.513  -0.507  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.236   0.020  -1.697  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        3.589  -0.605  -1.271  0.00  0.00    +0.089 C 
ATOM      7  N   LIG    1        4.304   0.243  -0.294  0.00  0.00    -0.294 NA
ATOM      8  C   LIG    1        3.569   0.358   0.991  0.00  0.00    +0.142 C 
ATOM      9  C   LIG    1        2.130   0.694   0.730  0.00  0.00    +0.083 A 
ATOM     10  N   LIG    1        1.304   1.157   1.660  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -0.718   2.215   2.977  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -4.838  -1.381  -1.846  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -4.087  -1.130  -0.567  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -3.691   0.166  -0.177  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.906   1.274  -1.031  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.720   1.115  -1.624  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -4.016   2.554  -0.333  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -2.730   2.851   0.412  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.405   1.708   1.376  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -2.906   0.329   0.983  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -2.635  -0.777   1.805  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.078  -2.045   1.447  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.789  -2.223   0.264  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -0.748   0.994  -1.298  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -1.754   1.045  -1.136  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -0.571   0.547  -2.195  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
BRANCH   7  27
ATOM     27  C   LIG    1        5.703  -0.157  -0.102  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.978  -1.571   0.437  0.00  0.00    +0.171 C 
BRANCH  28  29
ATOM     29  O   LIG    1        7.382  -1.796   0.544  0.00  0.00    -0.394 OA
ATOM     30  H   LIG    1        7.733  -1.158   1.189  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 5