REMARK  Name = BDB011497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.585   0.807   0.733  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.754   0.781  -0.560  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.159   0.152  -1.544  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.499   1.397  -0.513  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.868   2.342   0.498  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.086   3.197   1.075  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -0.267   4.134   2.048  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.589   4.223   2.474  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.555   3.396   1.906  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1        1.357   3.283   0.574  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -2.200   2.472   0.917  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.176   2.191   0.990  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.318  -0.675   1.720  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.619  -0.224   0.628  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        2.802  -0.594  -0.301  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        3.100  -0.255   2.856  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.350  -1.783   1.410  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.649  -3.133   1.555  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.536  -2.611   2.154  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.511  -1.593   2.296  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.181  -1.546   3.263  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.439   1.114  -1.602  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.330  -0.116  -1.429  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -3.314  -0.432  -2.418  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -4.149  -1.575  -2.246  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -5.115  -1.861  -3.243  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -5.270  -1.065  -4.377  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.461   0.043  -4.547  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.972  -2.374  -1.090  0.00  0.00    +0.026 A 
ATOM     30 BR   LIG    1       -5.022  -3.926  -0.734  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -3.005  -2.063  -0.137  0.00  0.00    +0.016 A 
ATOM     32  C   LIG    1       -3.500   0.352  -3.584  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -2.192  -0.949  -0.306  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5