REMARK  Name = BDB040809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.032  -0.025  -0.104  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.678  -0.593  -1.326  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -4.633  -1.022  -2.163  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.344  -0.720  -1.717  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.311  -0.284  -0.881  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.658   0.302   0.341  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -2.995   0.422   0.716  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -3.281   0.993   1.896  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -8.578   1.254   2.800  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -7.631   0.963   2.075  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -6.779  -0.062   2.398  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -6.981  -0.549   3.260  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -5.776  -0.604   1.629  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -5.216  -1.638   1.987  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.483   0.096   0.303  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -5.923   1.564   0.355  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -7.388   1.648   0.753  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1        0.037  -0.400  -1.273  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        1.194  -0.440  -0.420  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        1.978  -0.967  -1.635  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        0.598  -1.340  -2.206  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.809  -2.102  -1.346  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.316  -2.955  -1.100  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.032  -1.996  -0.793  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1        4.641  -0.776  -0.802  0.00  0.00    -0.403 OA
ATOM     26  C   LIG    1        5.824  -1.045  -0.163  0.00  0.00    +0.268 A 
ATOM     27  N   LIG    1        5.922  -2.310   0.204  0.00  0.00    -0.104 NA
ATOM     28  N   LIG    1        4.755  -2.924  -0.206  0.00  0.00    -0.092 NA
BRANCH  26  29
ATOM     29  C   LIG    1        6.760   0.058   0.017  0.00  0.00    +0.127 A 
ATOM     30  N   LIG    1        6.364   1.277  -0.435  0.00  0.00    -0.250 NA
ATOM     31  C   LIG    1        7.224   2.306  -0.273  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.468   2.185   0.322  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        8.859   0.932   0.780  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.995  -0.149   0.627  0.00  0.00    +0.033 A 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 5