REMARK  Name = BDB008866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.990  -1.135  -1.869  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.237  -0.091  -2.752  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.487   0.311  -3.016  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.176   0.564  -3.369  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.138   0.169  -3.102  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.402  -0.881  -2.207  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.322  -1.545  -1.604  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -5.613   1.871   0.106  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -4.764   0.696   0.301  0.00  0.00    -0.304 NA
ATOM     10  C   LIG    1       -3.344   1.080   0.311  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.314  -0.048   0.528  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -2.688  -1.326  -0.092  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1       -2.106  -1.853  -1.244  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -2.439  -2.919  -1.757  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -3.869  -2.027   0.417  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -4.498  -1.431   1.676  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -5.204  -0.085   1.458  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1        2.824  -1.320  -1.932  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.196  -1.254  -0.452  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        3.756   0.013   0.117  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        3.949   1.229  -0.743  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        4.237   2.504   0.057  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.228   2.237   1.182  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.694   1.168   2.138  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        4.077  -0.002   1.423  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.840  -1.222   2.236  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1        4.096  -1.259   3.435  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        3.319  -2.294   1.565  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        3.152  -3.140   2.101  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        2.998  -2.333   0.246  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3