REMARK  Name = BDB024548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.337  -0.585  -1.193  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.250   0.287  -1.038  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.514   1.699  -1.354  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.135   2.025  -2.802  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.856   2.618  -0.330  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.358   2.405  -0.297  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.991   0.946  -0.276  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.676   0.573   0.089  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.365   1.375   0.468  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.397   0.584   0.699  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -1.036  -0.740   0.504  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.283  -0.755   0.079  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.150  -1.772  -0.320  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.451  -1.400  -0.692  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.906  -0.071  -0.654  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.373  -0.276  -1.779  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.847  -1.945   0.664  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.825  -2.154  -0.504  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -3.574  -3.478  -0.370  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -4.257  -3.613   0.991  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1       -3.269  -3.421   2.141  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -2.538  -2.083   2.030  0.00  0.00    +0.027 C 
BRANCH  20  23
ATOM     23  O   LIG    1       -4.867  -4.892   1.091  0.00  0.00    -0.392 OA
ATOM     24  H   LIG    1       -4.172  -5.572   1.050  0.00  0.00    +0.210 HD
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.331  -2.647  -0.661  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.193  -1.788  -0.569  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.762   1.055   1.122  0.00  0.00    +0.199 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.994   2.455   0.766  0.00  0.00    -0.308 N 
ATOM     29  C   LIG    1       -3.118   3.387   1.794  0.00  0.00    +0.252 A 
ATOM     30  O   LIG    1       -3.095   3.124   2.994  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -3.328   4.800   1.371  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -3.407   5.114   0.072  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -3.277   4.092  -0.933  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1       -3.076   2.820  -0.571  0.00  0.00    +0.089 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5