REMARK  Name = BDB024497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.415  -0.081   1.956  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.444   0.767   1.395  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.769   2.209   1.359  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.858   2.513   0.317  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.576   3.137   1.079  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.325   2.621   1.757  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.048   1.254   1.201  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.745   0.833   0.865  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.431   1.523   0.960  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.381   0.724   0.507  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.849  -0.506   0.155  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.523  -0.440   0.359  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.571  -1.345   0.161  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.863  -0.922   0.503  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.119   0.348   1.036  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.547   0.292   2.258  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.540  -1.716  -0.287  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.304  -1.572  -1.615  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.275  -2.735  -1.899  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.928  -3.994  -1.105  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.879  -3.763   0.409  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.364  -2.380   0.821  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.720  -2.342  -1.626  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.073  -1.547  -0.770  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.608  -2.995  -2.408  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.210  -3.616  -3.048  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.947  -2.190   2.845  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.983  -1.350   2.209  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.824   1.140   0.426  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.192   1.944  -0.808  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -4.462   1.779  -1.387  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.842   2.523  -2.505  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.966   3.458  -3.052  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.714   3.653  -2.475  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.333   2.908  -1.356  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6