REMARK  Name = BDB009045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -1.772  -0.827  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.086  -1.683   0.191  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.294  -2.401   0.118  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.517  -3.243  -0.980  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.574  -3.336  -2.000  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.609  -2.600  -1.926  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.598  -0.258   0.169  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.091  -1.068  -0.831  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.687  -1.236  -1.630  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.113  -0.053   1.273  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1        7.703   2.246  -0.946  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        6.368   1.619  -0.681  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        6.059   1.146   0.597  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1        6.956   1.269   1.586  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        4.837   0.543   0.872  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        3.900   0.389  -0.153  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.189   0.865  -1.440  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.422   1.471  -1.703  0.00  0.00    +0.007 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.320  -2.327   1.228  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.620  -0.913   1.716  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.529  -0.030   0.919  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.146  -0.512  -0.364  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.803   0.604  -1.183  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.597   1.551  -0.293  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.696   2.186   0.768  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.768   1.196   1.416  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.114   1.631   2.676  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.288   2.754   3.139  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.317   0.702   3.287  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.844   0.981   4.140  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.064  -0.554   2.835  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4