REMARK  Name = BDB049559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088   1.863   2.151  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.619   2.632   3.307  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1       -2.763   2.626   3.724  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1       -0.585   3.357   3.842  0.00  0.00    -0.307 N 
ATOM      5  H   LIG    1       -0.724   3.954   4.646  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1        0.643   3.152   3.147  0.00  0.00    +0.141 C 
ATOM      7  C   LIG    1        0.222   2.179   2.096  0.00  0.00    -0.009 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        1.234   1.662   1.241  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        2.119   2.373   0.376  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        2.891   1.417  -0.297  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        3.859   1.775  -1.250  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        4.048   3.132  -1.521  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        3.290   4.102  -0.874  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        2.478   0.176   0.147  0.00  0.00    -0.322 N 
ATOM     15  C   LIG    1        2.321   3.736   0.067  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.491   0.317   1.089  0.00  0.00    +0.097 A 
BRANCH  14  17
ATOM     17  C   LIG    1        2.987  -1.109  -0.312  0.00  0.00    +0.285 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.416  -1.374  -1.588  0.00  0.00    -0.354 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.147  -2.746  -1.904  0.00  0.00    +0.063 C 
ATOM     20  C   LIG    1        3.386  -3.630  -1.719  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        1.753  -2.750  -3.388  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        0.962  -3.266  -1.080  0.00  0.00    +0.041 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   7   8
BRANCH   1  27
ATOM     23  C   LIG    1       -3.533  -0.834   1.125  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1       -3.285  -0.895  -0.256  0.00  0.00    +0.204 A 
ATOM     25  C   LIG    1       -2.329  -0.065  -0.860  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1       -1.650   0.865  -0.070  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1       -1.860   0.931   1.318  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -2.813   0.081   1.901  0.00  0.00    +0.058 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -4.848  -1.563   2.977  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.474  -1.704   1.613  0.00  0.00    -0.491 OA
ENDBRANCH  23  30
BRANCH  24  31
ATOM     31  O   LIG    1       -3.941  -1.837  -1.019  0.00  0.00    -0.488 OA
ATOM     32  C   LIG    1       -5.141  -1.274  -1.548  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
BRANCH  25  33
ATOM     33  O   LIG    1       -2.143  -0.215  -2.211  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1       -0.952   0.342  -2.756  0.00  0.00    +0.277 C 
ENDBRANCH  25  33
ENDBRANCH   1  27
TORSDOF 8