REMARK  Name = BDB048863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.285   0.896   0.942  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -1.938   1.361   2.318  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.414   1.489   2.258  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.070   1.672   0.767  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1       -1.262   1.069   0.093  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  15
ATOM      6  O   LIG    1       -6.714  -0.020   2.110  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.847  -0.080   1.246  0.00  0.00    +0.260 A 
ATOM      8  C   LIG    1       -6.106  -0.651  -0.086  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -5.048  -0.663  -1.000  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1       -5.293  -1.208  -2.270  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -6.555  -1.719  -2.605  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -7.593  -1.694  -1.674  0.00  0.00    +0.002 A 
ATOM     13 CL   LIG    1       -4.052  -1.273  -3.474  0.00  0.00    -0.081 Cl
ATOM     14  N   LIG    1       -3.778  -0.149  -0.664  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1       -3.588   0.343   0.516  0.00  0.00    +0.137 A 
ATOM     16  C   LIG    1       -7.371  -1.158  -0.408  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -4.576   0.384   1.462  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -4.421   0.781   2.375  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.224   1.160   0.316  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1        2.348   1.807   1.004  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1        3.677   1.486   0.300  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        3.832   0.012   0.015  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        2.752  -0.790   0.044  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        1.358  -0.303   0.344  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.179  -0.506  -0.302  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.032   0.202  -1.164  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        7.313  -0.277  -1.454  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.748  -1.462  -0.877  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        8.976  -1.920  -1.153  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.928  -2.179  -0.016  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.646  -1.701   0.272  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3