REMARK  Name = BDB021794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.511  -0.228  -1.598  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.350  -0.595  -0.903  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        1.002   0.026   0.377  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.037  -0.837   1.182  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -1.212  -1.184   0.355  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -0.774  -1.870  -0.946  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1        0.212  -1.001  -1.721  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        2.583  -0.190  -2.824  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.088   0.725   0.554  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        5.356  -0.420   0.884  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.186  -0.742   0.193  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        3.732   0.101  -0.826  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.471   1.234  -1.177  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        5.644   1.550  -0.482  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1        8.016   2.047   0.990  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        7.211   0.920   1.311  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  N   LIG    1       -2.086  -2.033   1.179  0.00  0.00    -0.309 NA
ATOM     18  H   LIG    1       -2.220  -1.595   2.089  0.00  0.00    +0.123 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.409  -2.299   0.607  0.00  0.00    +0.116 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.300  -1.081   0.547  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1       -4.870  -0.556   1.715  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.683   0.579   1.661  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -5.931   1.217   0.441  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -6.831   2.416   0.379  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.375   0.687  -0.728  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.563  -0.448  -0.676  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5