REMARK  Name = BDB025351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.921   0.667  -0.781  0.00  0.00    +0.279 C 
ATOM      2  N   LIG    1       -0.816   1.250  -0.120  0.00  0.00    -0.197 N 
ATOM      3  C   LIG    1        0.532   1.066  -0.354  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.153   0.189  -1.384  0.00  0.00    +0.140 C 
ATOM      5  N   LIG    1        2.607  -0.000  -1.128  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        3.254   1.283  -0.744  0.00  0.00    +0.090 C 
ATOM      7  C   LIG    1        2.690   1.962   0.532  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1        1.208   1.890   0.520  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        0.209   2.499   1.285  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.009   2.123   0.912  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -1.679  -0.135  -1.684  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -5.974  -3.426  -0.438  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -5.478  -2.030  -0.380  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1       -6.312  -0.976  -0.106  0.00  0.00    -0.358 N 
ATOM     15  H   LIG    1       -7.303  -1.051   0.075  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1       -5.610   0.209  -0.114  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.278  -0.096  -0.404  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.340   0.962  -0.460  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.782   2.280  -0.250  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -5.120   2.547   0.034  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -6.058   1.516   0.110  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.214  -1.512  -0.568  0.00  0.00    +0.031 A 
ENDBRANCH   1  18
BRANCH   9  23
ATOM     23  N   LIG    1        0.438   3.365   2.276  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1       -0.363   3.889   2.614  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        1.308   3.879   2.323  0.00  0.00    +0.144 HD
ENDBRANCH   9  23
BRANCH   5  26
ATOM     26  C   LIG    1        2.825  -1.073  -0.140  0.00  0.00    +0.120 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.280  -1.463   0.022  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        4.899  -1.405   1.280  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.237  -1.776   1.428  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.968  -2.210   0.324  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.364  -2.276  -0.930  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.026  -1.906  -1.080  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 4