REMARK  Name = BDB024568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.446  -0.837   0.119  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.491   0.124   0.502  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.000   1.508   0.539  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.225   2.047  -0.884  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.126   2.451   1.361  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.701   2.413   0.853  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.197   0.999   0.868  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.814   0.755   1.034  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.206   1.658   1.184  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.312   0.955   1.350  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.044  -0.398   1.234  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        0.327  -0.539   1.108  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.177  -1.643   1.072  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.546  -1.395   0.889  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.080  -0.105   0.730  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.656  -0.616   0.116  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.910  -2.957  -0.780  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.934  -2.017  -0.329  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.969  -1.505   1.390  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.586  -2.117   0.115  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -1.569  -2.699  -0.886  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -2.120  -2.786  -2.316  0.00  0.00    +0.081 C 
ATOM     23  N   LIG    1       -3.557  -3.040  -2.333  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -3.750  -3.893  -1.810  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.300  -1.925  -1.735  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1       -3.549  -1.185  -0.619  0.00  0.00    +0.020 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.639   1.574   1.692  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.453   2.075   0.516  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -2.855   2.671  -0.604  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.633   3.145  -1.662  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.022   3.049  -1.606  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.633   2.489  -0.487  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.856   2.014   0.571  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5