REMARK  Name = BDB024605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.354   0.200  -0.141  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.338   0.836  -0.876  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.734   2.034  -1.648  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.596   1.658  -2.864  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.566   2.899  -2.146  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.458   2.948  -1.115  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.989   1.538  -0.898  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.621   1.215  -0.779  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.462   2.050  -0.841  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.526   1.289  -0.679  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.162  -0.039  -0.513  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.219  -0.100  -0.576  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.149  -1.139  -0.484  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.507  -0.810  -0.592  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.945   0.507  -0.778  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.544   0.491  -0.236  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.089  -1.154  -0.348  0.00  0.00    +0.094 C 
ATOM     18  C   LIG    1       -1.824  -2.047   0.888  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -1.945  -3.494   0.391  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.366  -3.925   0.766  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1       -4.007  -2.732   1.321  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -4.705  -2.987   2.019  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -1.661  -3.441  -1.103  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -2.929  -1.953   1.930  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -2.155  -2.082  -1.571  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        5.934  -1.330   1.546  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        4.910  -0.730   0.754  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.934   1.813  -0.688  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.559   1.925   0.686  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.897   2.596   1.726  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.486   2.712   2.986  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.748   2.170   3.219  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.424   1.515   2.191  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.836   1.397   0.930  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4